N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide

C27H37N3O4 — CID 29257696

IUPACN,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1
InChIInChI=1S/C27H37N3O4/c1-20(29-14-17-33-18-15-29)26(31)30-12-9-23(10-13-30)25(19-22-7-5-4-6-8-22)28(3)27(32)24-11-16-34-21(24)2/h4-8,11,16,20,23,25H,9-10,12-15,17-19H2,1-3H3/t20-,25-/m0/s1
InChIKeyAWVPLADDRVOAKY-CPJSRVTESA-N
MW467.61 g/mol
LogP3.23
Rot. Bonds7

About N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide

N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide (PubChem CID 29257696) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
PubChem CID29257696
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC NameN,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1
InChIInChI=1S/C27H37N3O4/c1-20(29-14-17-33-18-15-29)26(31)30-12-9-23(10-13-30)25(19-22-7-5-4-6-8-22)28(3)27(32)24-11-16-34-21(24)2/h4-8,11,16,20,23,25H,9-10,12-15,17-19H2,1-3H3/t20-,25-/m0/s1
InChIKeyAWVPLADDRVOAKY-CPJSRVTESA-N
XLogP3.23
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide
CID 126464322
N-[(1S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352988
N-[(1R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 26352991
N,2-dimethyl-N-[(1R)-2-phenyl-1-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]ethyl]furan-3-carboxamide
CID 42485147
N-[(1S)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 42544541
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45238794
N,2-dimethyl-N-[2-phenyl-1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 45245666
N-[1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,2-dimethylfuran-3-carboxamide
CID 45217634
N,2-dimethyl-N-[(1S)-2-phenyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]ethyl]furan-3-carboxamide
CID 26357642
N-[2-(2-fluorophenyl)-1-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45192419
N-[(1R)-1-[1-[(4S)-2,2-dimethyloxane-4-carbonyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 26280456
N-[(1S)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42273995

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide (CID 29257696) is N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H](C)N2CCOCC2)CC1.
What is the InChIKey of N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide?
The InChIKey is AWVPLADDRVOAKY-CPJSRVTESA-N. The full InChI is InChI=1S/C27H37N3O4/c1-20(29-14-17-33-18-15-29)26(31)30-12-9-23(10-13-30)25(19-22-7-5-4-6-8-22)28(3)27(32)24-11-16-34-21(24)2/h4-8,11,16,20,23,25H,9-10,12-15,17-19H2,1-3H3/t20-,25-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide?
N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1S)-1-[1-[(2S)-2-morpholin-4-ylpropanoyl]piperidin-4-yl]-2-phenylethyl]furan-3-carboxamide is sourced from PubChem (CID 29257696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).