(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride

C15H21ClN2O2 — CID 119685148

IUPAC(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCOc2ccccc21)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O2.ClH/c18-15(13-6-3-4-9-16-13)17-12-8-10-19-14-7-2-1-5-11(12)14;/h1-2,5,7,12-13,16H,3-4,6,8-10H2,(H,17,18);1H/t12?,13-;/m0./s1
InChIKeyHTLAWYPQFUJYRJ-ZEDZUCNESA-N
MW296.80 g/mol
LogP2.19
Rot. Bonds2

About (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride

(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119685148) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119685148
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCOc2ccccc21)[C@@H]1CCCCN1
InChIInChI=1S/C15H20N2O2.ClH/c18-15(13-6-3-4-9-16-13)17-12-8-10-19-14-7-2-1-5-11(12)14;/h1-2,5,7,12-13,16H,3-4,6,8-10H2,(H,17,18);1H/t12?,13-;/m0./s1
InChIKeyHTLAWYPQFUJYRJ-ZEDZUCNESA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
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N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride (CID 119685148) is (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCOc2ccccc21)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is HTLAWYPQFUJYRJ-ZEDZUCNESA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c18-15(13-6-3-4-9-16-13)17-12-8-10-19-14-7-2-1-5-11(12)14;/h1-2,5,7,12-13,16H,3-4,6,8-10H2,(H,17,18);1H/t12?,13-;/m0./s1.
What are the key properties of (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride?
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119685148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).