N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H26ClN3O2 — CID 119820458

IUPACN-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccn(C)c(=O)c1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11-6-8-19(3)16(21)15(11)18-14(20)9-12(2)13-5-4-7-17-10-13;/h6,8,12-13,17H,4-5,7,9-10H2,1-3H3,(H,18,20);1H
InChIKeyNXSFLGQZJITNQU-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.08
Rot. Bonds4

About N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119820458) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119820458
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccn(C)c(=O)c1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11-6-8-19(3)16(21)15(11)18-14(20)9-12(2)13-5-4-7-17-10-13;/h6,8,12-13,17H,4-5,7,9-10H2,1-3H3,(H,18,20);1H
InChIKeyNXSFLGQZJITNQU-UHFFFAOYSA-N
XLogP2.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119820458) is N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccn(C)c(=O)c1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is NXSFLGQZJITNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-11-6-8-19(3)16(21)15(11)18-14(20)9-12(2)13-5-4-7-17-10-13;/h6,8,12-13,17H,4-5,7,9-10H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119820458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).