N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

C19H27N5O — CID 56786115

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1nccn1CCCNC(=O)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C19H27N5O/c1-16-21-10-13-23(16)12-5-9-22-19(25)18-7-2-3-11-24(18)15-17-6-4-8-20-14-17/h4,6,8,10,13-14,18H,2-3,5,7,9,11-12,15H2,1H3,(H,22,25)
InChIKeyAYVGBKOSVDCVRO-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.15
Rot. Bonds7

About N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 56786115) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID56786115
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1nccn1CCCNC(=O)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C19H27N5O/c1-16-21-10-13-23(16)12-5-9-22-19(25)18-7-2-3-11-24(18)15-17-6-4-8-20-14-17/h4,6,8,10,13-14,18H,2-3,5,7,9,11-12,15H2,1H3,(H,22,25)
InChIKeyAYVGBKOSVDCVRO-UHFFFAOYSA-N
XLogP2.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.15
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

(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 96516993
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
CID 95619721
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
2-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-10-(pyridin-3-ylmethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110067046
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(3-piperazin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119393584
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 56786115) is N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is Cc1nccn1CCCNC(=O)C1CCCCN1Cc1cccnc1.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is AYVGBKOSVDCVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16-21-10-13-23(16)12-5-9-22-19(25)18-7-2-3-11-24(18)15-17-6-4-8-20-14-17/h4,6,8,10,13-14,18H,2-3,5,7,9,11-12,15H2,1H3,(H,22,25).
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 56786115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).