N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C24H35N7 — CID 111207468

IUPACN'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1CN1CCCC(C)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H35N7/c1-20-7-5-12-29(18-20)19-22-9-4-3-8-21(22)17-28-23(25-2)30-13-15-31(16-14-30)24-26-10-6-11-27-24/h3-4,6,8-11,20H,5,7,12-19H2,1-2H3,(H,25,28)
InChIKeyRXKRPLYTNZCEKC-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.61
Rot. Bonds5

About N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111207468) has the molecular formula C24H35N7 and a molecular weight of 421.59 g/mol. Its IUPAC name is N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111207468
Molecular FormulaC24H35N7
Molecular Weight421.59 g/mol
Exact Mass421.30
IUPAC NameN'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1CN1CCCC(C)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H35N7/c1-20-7-5-12-29(18-20)19-22-9-4-3-8-21(22)17-28-23(25-2)30-13-15-31(16-14-30)24-26-10-6-11-27-24/h3-4,6,8-11,20H,5,7,12-19H2,1-2H3,(H,25,28)
InChIKeyRXKRPLYTNZCEKC-UHFFFAOYSA-N
XLogP2.61
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206039
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205979
N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206615
2-methyl-1-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110967468
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205962
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206023
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219889
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
N'-methyl-N-[(2-nitrophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206927
N'-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205447
N-[(2-ethoxy-3-pyridinyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144415
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
CID 111144050

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111207468) is N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is C/N=C(\NCc1ccccc1CN1CCCC(C)C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is RXKRPLYTNZCEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7/c1-20-7-5-12-29(18-20)19-22-9-4-3-8-21(22)17-28-23(25-2)30-13-15-31(16-14-30)24-26-10-6-11-27-24/h3-4,6,8-11,20H,5,7,12-19H2,1-2H3,(H,25,28).
What are the key properties of N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 421.59 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111207468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).