N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide

C14H22N4O — CID 115178480

IUPACN-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
SMILESCN(C(=O)CCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C14H22N4O/c1-17(13-4-2-6-16-12-13)14(19)5-3-9-18-10-7-15-8-11-18/h2,4,6,12,15H,3,5,7-11H2,1H3
InChIKeyUYCCSSOCVPCLRG-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide

N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide (PubChem CID 115178480) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
PubChem CID115178480
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
SMILESCN(C(=O)CCCN1CCNCC1)c1cccnc1
InChIInChI=1S/C14H22N4O/c1-17(13-4-2-6-16-12-13)14(19)5-3-9-18-10-7-15-8-11-18/h2,4,6,12,15H,3,5,7-11H2,1H3
InChIKeyUYCCSSOCVPCLRG-UHFFFAOYSA-N
XLogP0.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-piperazin-1-ylbutyl)pyridin-3-amine
CID 115240359
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
5-amino-N-methyl-N-pyridin-3-ylhexanamide
CID 82852147
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
CID 112514504
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 115230518
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide?
The IUPAC name of N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide (CID 115178480) is N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide?
The canonical SMILES for N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide is CN(C(=O)CCCN1CCNCC1)c1cccnc1.
What is the InChIKey of N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide?
The InChIKey is UYCCSSOCVPCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(13-4-2-6-16-12-13)14(19)5-3-9-18-10-7-15-8-11-18/h2,4,6,12,15H,3,5,7-11H2,1H3.
What are the key properties of N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide?
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide has a molecular weight of 262.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 115178480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).