6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H21ClN2O2 — CID 119459981

IUPAC6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C16H21ClN2O2/c17-14-3-4-15-12(7-14)6-13(10-21-15)16(20)19-9-11-2-1-5-18-8-11/h3-4,7,11,13,18H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyOUOWDVRRNSEDIP-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.01
Rot. Bonds3

About 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 119459981) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID119459981
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C16H21ClN2O2/c17-14-3-4-15-12(7-14)6-13(10-21-15)16(20)19-9-11-2-1-5-18-8-11/h3-4,7,11,13,18H,1-2,5-6,8-10H2,(H,19,20)
InChIKeyOUOWDVRRNSEDIP-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120576633
6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17461192
(3S)-N-(cyclohexylmethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091251
(3S)-6-chloro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 8533007
(3S)-6-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 8545468
N-[(4-carbamoylphenyl)methyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46560653
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 119547491
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926
(3S)-6-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9090624

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 119459981) is 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCC1CCCNC1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is OUOWDVRRNSEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-3-4-15-12(7-14)6-13(10-21-15)16(20)19-9-11-2-1-5-18-8-11/h3-4,7,11,13,18H,1-2,5-6,8-10H2,(H,19,20).
What are the key properties of 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 119459981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).