N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide

C18H31N5O — CID 14622624

IUPACN,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)CC(=O)N(C)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H31N5O/c1-16(2)15-17(24)21(3)9-4-5-10-22-11-13-23(14-12-22)18-19-7-6-8-20-18/h6-8,16H,4-5,9-15H2,1-3H3
InChIKeyIBTAWLQBHIFSSV-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.88
Rot. Bonds8

About N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide

N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide (PubChem CID 14622624) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide
PubChem CID14622624
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)CC(=O)N(C)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H31N5O/c1-16(2)15-17(24)21(3)9-4-5-10-22-11-13-23(14-12-22)18-19-7-6-8-20-18/h6-8,16H,4-5,9-15H2,1-3H3
InChIKeyIBTAWLQBHIFSSV-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
1-butyl-3-ethyl-1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111159043
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 90647609
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91835204
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide (CID 14622624) is N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide is CC(C)CC(=O)N(C)CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide?
The InChIKey is IBTAWLQBHIFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-16(2)15-17(24)21(3)9-4-5-10-22-11-13-23(14-12-22)18-19-7-6-8-20-18/h6-8,16H,4-5,9-15H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide?
N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide has a molecular weight of 333.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 14622624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).