1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H28N4O2 — CID 56814486

IUPAC1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CC(=O)NCC(C)C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)10-19-17(23)12-22-9-5-7-15(11-22)18(24)21-16-8-4-6-14(3)20-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyBBLIPVQVULLAJM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 56814486) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID56814486
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(CC(=O)NCC(C)C)C2)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)10-19-17(23)12-22-9-5-7-15(11-22)18(24)21-16-8-4-6-14(3)20-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyBBLIPVQVULLAJM-UHFFFAOYSA-N
XLogP1.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
(3R)-1-[3-(methylcarbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94821180
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
ethyl 4-cyclopropyl-2-[[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 55856218
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 120898680
(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95141951
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 56814486) is 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(CC(=O)NCC(C)C)C2)n1.
What is the InChIKey of 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is BBLIPVQVULLAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)10-19-17(23)12-22-9-5-7-15(11-22)18(24)21-16-8-4-6-14(3)20-16/h4,6,8,13,15H,5,7,9-12H2,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 56814486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).