[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H29N5O — CID 139012669

IUPAC[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCCC(c3nccn3C)C2)cn1
InChIInChI=1S/C20H29N5O/c1-4-11-24(5-2)18-9-8-16(14-22-18)20(26)25-12-6-7-17(15-25)19-21-10-13-23(19)3/h8-10,13-14,17H,4-7,11-12,15H2,1-3H3
InChIKeyVWZPMUKYNULVRC-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.07
Rot. Bonds6

About [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 139012669) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID139012669
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CCCC(c3nccn3C)C2)cn1
InChIInChI=1S/C20H29N5O/c1-4-11-24(5-2)18-9-8-16(14-22-18)20(26)25-12-6-7-17(15-25)19-21-10-13-23(19)3/h8-10,13-14,17H,4-7,11-12,15H2,1-3H3
InChIKeyVWZPMUKYNULVRC-UHFFFAOYSA-N
XLogP3.07
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540285
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72877246
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72882373
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162

Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 139012669) is [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is CCCN(CC)c1ccc(C(=O)N2CCCC(c3nccn3C)C2)cn1.
What is the InChIKey of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VWZPMUKYNULVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-11-24(5-2)18-9-8-16(14-22-18)20(26)25-12-6-7-17(15-25)19-21-10-13-23(19)3/h8-10,13-14,17H,4-7,11-12,15H2,1-3H3.
What are the key properties of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 355.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139012669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).