N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide

C19H27N3O3 — CID 154577921

IUPACN-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)N1CCCC(C(=O)NCCN)C1)O2
InChIInChI=1S/C19H27N3O3/c1-13-4-6-16-14(11-13)5-7-17(25-16)19(24)22-10-2-3-15(12-22)18(23)21-9-8-20/h4,6,11,15,17H,2-3,5,7-10,12,20H2,1H3,(H,21,23)
InChIKeyMYRDKWDCTYTWTH-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.00
Rot. Bonds4

About N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 154577921) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide
PubChem CID154577921
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)N1CCCC(C(=O)NCCN)C1)O2
InChIInChI=1S/C19H27N3O3/c1-13-4-6-16-14(11-13)5-7-17(25-16)19(24)22-10-2-3-15(12-22)18(23)21-9-8-20/h4,6,11,15,17H,2-3,5,7-10,12,20H2,1H3,(H,21,23)
InChIKeyMYRDKWDCTYTWTH-UHFFFAOYSA-N
XLogP1.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxamide
CID 119481076
N-(2-aminoethyl)-1-(5-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119480572
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
N-(2-aminoethyl)-1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119481119
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
CID 63325355
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
N-(2-aminoethyl)-1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480953

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide (CID 154577921) is N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide is Cc1ccc2c(c1)CCC(C(=O)N1CCCC(C(=O)NCCN)C1)O2.
What is the InChIKey of N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is MYRDKWDCTYTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-4-6-16-14(11-13)5-7-17(25-16)19(24)22-10-2-3-15(12-22)18(23)21-9-8-20/h4,6,11,15,17H,2-3,5,7-10,12,20H2,1H3,(H,21,23).
What are the key properties of N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(6-methyl-3,4-dihydro-2H-chromene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 154577921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).