N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide

C20H25ClN4O2 — CID 72910051

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)Cn2ccnc2)C1)NCc1ccccc1Cl
InChIInChI=1S/C20H25ClN4O2/c21-18-6-2-1-5-17(18)12-23-19(26)8-7-16-4-3-10-25(13-16)20(27)14-24-11-9-22-15-24/h1-2,5-6,9,11,15-16H,3-4,7-8,10,12-14H2,(H,23,26)
InChIKeyIOHFMIQHIHPCOS-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.87
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide (PubChem CID 72910051) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
PubChem CID72910051
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)Cn2ccnc2)C1)NCc1ccccc1Cl
InChIInChI=1S/C20H25ClN4O2/c21-18-6-2-1-5-17(18)12-23-19(26)8-7-16-4-3-10-25(13-16)20(27)14-24-11-9-22-15-24/h1-2,5-6,9,11,15-16H,3-4,7-8,10,12-14H2,(H,23,26)
InChIKeyIOHFMIQHIHPCOS-UHFFFAOYSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
CID 25306946
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
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N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42415691
N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
CID 45236016
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45192488
N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
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2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
CID 131947340
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
N-[(2-chlorophenyl)methyl]-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide (CID 72910051) is N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)Cn2ccnc2)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide?
The InChIKey is IOHFMIQHIHPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c21-18-6-2-1-5-17(18)12-23-19(26)8-7-16-4-3-10-25(13-16)20(27)14-24-11-9-22-15-24/h1-2,5-6,9,11,15-16H,3-4,7-8,10,12-14H2,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide has a molecular weight of 388.90 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72910051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).