N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C20H29N5O2 — CID 126440866

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(O)(CN2CCCC2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H29N5O2/c1-15(18-22-16-6-2-3-7-17(16)23-18)21-19(26)25-12-8-20(27,9-13-25)14-24-10-4-5-11-24/h2-3,6-7,15,27H,4-5,8-14H2,1H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyCLIPFKJPLOOUCG-HNNXBMFYSA-N
MW371.49 g/mol
LogP2.26
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 126440866) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID126440866
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(O)(CN2CCCC2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H29N5O2/c1-15(18-22-16-6-2-3-7-17(16)23-18)21-19(26)25-12-8-20(27,9-13-25)14-24-10-4-5-11-24/h2-3,6-7,15,27H,4-5,8-14H2,1H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyCLIPFKJPLOOUCG-HNNXBMFYSA-N
XLogP2.26
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide
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1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
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N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
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1-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 126440866) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(O)(CN2CCCC2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is CLIPFKJPLOOUCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(18-22-16-6-2-3-7-17(16)23-18)21-19(26)25-12-8-20(27,9-13-25)14-24-10-4-5-11-24/h2-3,6-7,15,27H,4-5,8-14H2,1H3,(H,21,26)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126440866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).