2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C20H32N4O2 — CID 164640736

IUPAC2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C20H32N4O2/c1-15(23-19(25)14-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)13-18-21-9-10-22-18/h9-10,15-17H,2-8,11-14H2,1H3,(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyVPKKLPXHMDCBPE-HNNXBMFYSA-N
MW360.50 g/mol
LogP2.67
Rot. Bonds6

About 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 164640736) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID164640736
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1
InChIInChI=1S/C20H32N4O2/c1-15(23-19(25)14-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)13-18-21-9-10-22-18/h9-10,15-17H,2-8,11-14H2,1H3,(H,21,22)(H,23,25)/t15-/m0/s1
InChIKeyVPKKLPXHMDCBPE-HNNXBMFYSA-N
XLogP2.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
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CID 56901514
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
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(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-(3-methoxypropyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70740562
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 75424556
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CID 145983440
(1S,2S,4R)-3-[(2S)-2-[[(2S)-2-cyclohexyl-2-(1H-imidazole-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-3-azabicyclo[2.2.1]heptane-2-carboxamide
CID 9809760
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 164640736) is 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is VPKKLPXHMDCBPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(23-19(25)14-16-5-3-2-4-6-16)20(26)24-11-7-17(8-12-24)13-18-21-9-10-22-18/h9-10,15-17H,2-8,11-14H2,1H3,(H,21,22)(H,23,25)/t15-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2S)-1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 164640736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).