6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H25ClN2O2 — CID 126767232

IUPAC6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(CC2CC2)CC1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H25ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)21-17-5-7-22(8-6-17)11-13-1-2-13/h3-4,10,13,15,17H,1-2,5-9,11-12H2,(H,21,23)
InChIKeyNZAIRCZLXKBQNO-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.88
Rot. Bonds4

About 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 126767232) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID126767232
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(CC2CC2)CC1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H25ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)21-17-5-7-22(8-6-17)11-13-1-2-13/h3-4,10,13,15,17H,1-2,5-9,11-12H2,(H,21,23)
InChIKeyNZAIRCZLXKBQNO-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 126775379
N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
CID 126795271
6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 71893150
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(3S)-6-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 8545468
6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 127463379
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 126767232) is 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCN(CC2CC2)CC1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NZAIRCZLXKBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-3-4-18-14(10-16)9-15(12-24-18)19(23)21-17-5-7-22(8-6-17)11-13-1-2-13/h3-4,10,13,15,17H,1-2,5-9,11-12H2,(H,21,23).
What are the key properties of 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 126767232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).