(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide

C19H28N4O2 — CID 93015076

IUPAC(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-3-11-23-17-9-5-4-8-16(17)21-19(23)22-12-6-7-15(14-22)18(24)20-10-13-25-2/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQWDUMKAYPFZCAY-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.43
Rot. Bonds7

About (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide

(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 93015076) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID93015076
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-3-11-23-17-9-5-4-8-16(17)21-19(23)22-12-6-7-15(14-22)18(24)20-10-13-25-2/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQWDUMKAYPFZCAY-HNNXBMFYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 93015076) is (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide is CCCn1c(N2CCC[C@H](C(=O)NCCOC)C2)nc2ccccc21.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QWDUMKAYPFZCAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-11-23-17-9-5-4-8-16(17)21-19(23)22-12-6-7-15(14-22)18(24)20-10-13-25-2/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 93015076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).