1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide

C18H25N3O3 — CID 118761127

IUPAC1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)15-3-1-8-21(12-15)9-7-20-18(23)14-5-6-16-13(11-14)4-2-10-24-16/h5-6,11,15H,1-4,7-10,12H2,(H2,19,22)(H,20,23)
InChIKeyGCQOYKDQPYNFOE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.94
Rot. Bonds5

About 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide

1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide (PubChem CID 118761127) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
PubChem CID118761127
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2ccc3c(c2)CCCO3)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)15-3-1-8-21(12-15)9-7-20-18(23)14-5-6-16-13(11-14)4-2-10-24-16/h5-6,11,15H,1-4,7-10,12H2,(H2,19,22)(H,20,23)
InChIKeyGCQOYKDQPYNFOE-UHFFFAOYSA-N
XLogP0.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 118788009
15-(cyclopropylmethyl)-N-(2-pyrrolidin-1-ylethyl)-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072536
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115319761
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide (CID 118761127) is 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCNC(=O)c2ccc3c(c2)CCCO3)C1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is GCQOYKDQPYNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(22)15-3-1-8-21(12-15)9-7-20-18(23)14-5-6-16-13(11-14)4-2-10-24-16/h5-6,11,15H,1-4,7-10,12H2,(H2,19,22)(H,20,23).
What are the key properties of 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide?
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 118761127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).