(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide

C19H26N2O3 — CID 94648221

IUPAC(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)C1
InChIInChI=1S/C19H26N2O3/c1-2-6-18(22)21-10-5-8-15(13-21)19(23)20-12-16-11-14-7-3-4-9-17(14)24-16/h3-4,7,9,15-16H,2,5-6,8,10-13H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyMOOMOGHNZGXUNW-JKSUJKDBSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds5

About (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide

(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 94648221) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
PubChem CID94648221
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)C1
InChIInChI=1S/C19H26N2O3/c1-2-6-18(22)21-10-5-8-15(13-21)19(23)20-12-16-11-14-7-3-4-9-17(14)24-16/h3-4,7,9,15-16H,2,5-6,8,10-13H2,1H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyMOOMOGHNZGXUNW-JKSUJKDBSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111950001
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(3R)-3-[(carbamoylamino)methyl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-1-carboxamide
CID 99813027
N-[2-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111949943
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide (CID 94648221) is (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide is CCCC(=O)N1CCC[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)C1.
What is the InChIKey of (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is MOOMOGHNZGXUNW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-6-18(22)21-10-5-8-15(13-21)19(23)20-12-16-11-14-7-3-4-9-17(14)24-16/h3-4,7,9,15-16H,2,5-6,8,10-13H2,1H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide?
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94648221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).