N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide

C20H30N4O2 — CID 46106619

IUPACN-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCn1c(N2CCCC(C(=O)NCCCOC)C2)nc2ccccc21
InChIInChI=1S/C20H30N4O2/c1-3-12-24-18-10-5-4-9-17(18)22-20(24)23-13-6-8-16(15-23)19(25)21-11-7-14-26-2/h4-5,9-10,16H,3,6-8,11-15H2,1-2H3,(H,21,25)
InChIKeyFOYKJTACLUYABI-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.82
Rot. Bonds8

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

N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 46106619) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID46106619
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCn1c(N2CCCC(C(=O)NCCCOC)C2)nc2ccccc21
InChIInChI=1S/C20H30N4O2/c1-3-12-24-18-10-5-4-9-17(18)22-20(24)23-13-6-8-16(15-23)19(25)21-11-7-14-26-2/h4-5,9-10,16H,3,6-8,11-15H2,1-2H3,(H,21,25)
InChIKeyFOYKJTACLUYABI-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.82
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

(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(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
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 46106619) is N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide is CCCn1c(N2CCCC(C(=O)NCCCOC)C2)nc2ccccc21.
What is the InChIKey of N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is FOYKJTACLUYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-12-24-18-10-5-4-9-17(18)22-20(24)23-13-6-8-16(15-23)19(25)21-11-7-14-26-2/h4-5,9-10,16H,3,6-8,11-15H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide?
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46106619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).