N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide

C18H25N5O — CID 119847742

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H25N5O/c1-13(15-5-3-7-19-12-15)11-17(24)22-16-6-4-8-21-18(16)23-10-9-20-14(23)2/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3,(H,22,24)
InChIKeyLUTLBFLVKXDKFM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide (PubChem CID 119847742) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
PubChem CID119847742
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C18H25N5O/c1-13(15-5-3-7-19-12-15)11-17(24)22-16-6-4-8-21-18(16)23-10-9-20-14(23)2/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3,(H,22,24)
InChIKeyLUTLBFLVKXDKFM-UHFFFAOYSA-N
XLogP2.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
(3S)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 81119624
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119759521
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide (CID 119847742) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide is Cc1nccn1-c1ncccc1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
The InChIKey is LUTLBFLVKXDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(15-5-3-7-19-12-15)11-17(24)22-16-6-4-8-21-18(16)23-10-9-20-14(23)2/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide has a molecular weight of 327.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119847742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).