N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride

C20H29ClN2O2 — CID 119318107

IUPACN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCCNC1)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(17-4-3-10-21-13-17)22(18-5-1-2-6-18)14-15-7-8-19-16(12-15)9-11-24-19;/h7-8,12,17-18,21H,1-6,9-11,13-14H2;1H
InChIKeyAVCFGOHYRLFGNW-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.31
Rot. Bonds4

About N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride

N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119318107) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119318107
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCCNC1)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(17-4-3-10-21-13-17)22(18-5-1-2-6-18)14-15-7-8-19-16(12-15)9-11-24-19;/h7-8,12,17-18,21H,1-6,9-11,13-14H2;1H
InChIKeyAVCFGOHYRLFGNW-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
CID 119318097
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
(3R,4S)-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931090
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119318107) is N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(C1CCCNC1)N(Cc1ccc2c(c1)CCO2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is AVCFGOHYRLFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c23-20(17-4-3-10-21-13-17)22(18-5-1-2-6-18)14-15-7-8-19-16(12-15)9-11-24-19;/h7-8,12,17-18,21H,1-6,9-11,13-14H2;1H.
What are the key properties of N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride?
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119318107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).