N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride

C22H27ClN2O2 — CID 119320930

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CCNCC1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(17-10-12-23-13-11-17)24-21(16-5-2-1-3-6-16)19-8-9-20-18(15-19)7-4-14-26-20;/h1-3,5-6,8-9,15,17,21,23H,4,7,10-14H2,(H,24,25);1H
InChIKeyJXSLOINXMPABFN-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.64
Rot. Bonds4

About N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119320930) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119320930
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CCNCC1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(17-10-12-23-13-11-17)24-21(16-5-2-1-3-6-16)19-8-9-20-18(15-19)7-4-14-26-20;/h1-3,5-6,8-9,15,17,21,23H,4,7,10-14H2,(H,24,25);1H
InChIKeyJXSLOINXMPABFN-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
(3S)-N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]oxolane-3-carboxamide
CID 95319395
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
CID 86897846
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
N-[(R)-3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99701816
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-nitrobenzamide
CID 102556629
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 154842575
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119320930) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)C1CCNCC1.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JXSLOINXMPABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c25-22(17-10-12-23-13-11-17)24-21(16-5-2-1-3-6-16)19-8-9-20-18(15-19)7-4-14-26-20;/h1-3,5-6,8-9,15,17,21,23H,4,7,10-14H2,(H,24,25);1H.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119320930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).