N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C20H32N4O — CID 46384778

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H32N4O/c1-17-5-2-3-13-23(17)14-4-10-22-20(25)18-8-15-24(16-9-18)19-6-11-21-12-7-19/h6-7,11-12,17-18H,2-5,8-10,13-16H2,1H3,(H,22,25)
InChIKeyCRFHWZRCTLSUGT-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384778) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384778
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H32N4O/c1-17-5-2-3-13-23(17)14-4-10-22-20(25)18-8-15-24(16-9-18)19-6-11-21-12-7-19/h6-7,11-12,17-18H,2-5,8-10,13-16H2,1H3,(H,22,25)
InChIKeyCRFHWZRCTLSUGT-UHFFFAOYSA-N
XLogP2.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384789
N-[3-(2-methylpiperidin-1-yl)propyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395530
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 92889443
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 126459192
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384778) is N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is CC1CCCCN1CCCNC(=O)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is CRFHWZRCTLSUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-5-2-3-13-23(17)14-4-10-22-20(25)18-8-15-24(16-9-18)19-6-11-21-12-7-19/h6-7,11-12,17-18H,2-5,8-10,13-16H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).