1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C23H35N5O2 — CID 42880667

IUPAC1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)nc2ccccc21
InChIInChI=1S/C23H35N5O2/c1-2-3-12-28-21-9-5-4-8-20(21)25-23(28)27-11-6-7-19(18-27)22(29)24-10-13-26-14-16-30-17-15-26/h4-5,8-9,19H,2-3,6-7,10-18H2,1H3,(H,24,29)
InChIKeyRBXTZWPWZNTCDJ-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.50
Rot. Bonds8

About 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 42880667) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID42880667
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)nc2ccccc21
InChIInChI=1S/C23H35N5O2/c1-2-3-12-28-21-9-5-4-8-20(21)25-23(28)27-11-6-7-19(18-27)22(29)24-10-13-26-14-16-30-17-15-26/h4-5,8-9,19H,2-3,6-7,10-18H2,1H3,(H,24,29)
InChIKeyRBXTZWPWZNTCDJ-UHFFFAOYSA-N
XLogP2.50
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
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
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 67099408
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 42880667) is 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is CCCCn1c(N2CCCC(C(=O)NCCN3CCOCC3)C2)nc2ccccc21.
What is the InChIKey of 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is RBXTZWPWZNTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-2-3-12-28-21-9-5-4-8-20(21)25-23(28)27-11-6-7-19(18-27)22(29)24-10-13-26-14-16-30-17-15-26/h4-5,8-9,19H,2-3,6-7,10-18H2,1H3,(H,24,29).
What are the key properties of 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).