N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide

C23H37N5O2 — CID 123889956

IUPACN,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N5O2/c1-25(2)23(30)28-16-14-27(15-17-28)19-20-6-8-21(9-7-20)22(29)18-24-10-13-26-11-4-3-5-12-26/h6-9,24H,3-5,10-19H2,1-2H3
InChIKeyRUUJYTKNLRAJNR-UHFFFAOYSA-N
MW415.58 g/mol
LogP1.74
Rot. Bonds8

About N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide

N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 123889956) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID123889956
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N5O2/c1-25(2)23(30)28-16-14-27(15-17-28)19-20-6-8-21(9-7-20)22(29)18-24-10-13-26-11-4-3-5-12-26/h6-9,24H,3-5,10-19H2,1-2H3
InChIKeyRUUJYTKNLRAJNR-UHFFFAOYSA-N
XLogP1.74
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[[2-[4-[[4-(dimethylcarbamoyl)piperazin-1-yl]methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756290
1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
CID 123725845
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide (CID 123889956) is N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(Cc2ccc(C(=O)CNCCN3CCCCC3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is RUUJYTKNLRAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2/c1-25(2)23(30)28-16-14-27(15-17-28)19-20-6-8-21(9-7-20)22(29)18-24-10-13-26-11-4-3-5-12-26/h6-9,24H,3-5,10-19H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-[2-(2-piperidin-1-ylethylamino)acetyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 123889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).