N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide

C21H25N3O4 — CID 39510053

IUPACN-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C21H25N3O4/c1-15-5-2-3-6-17(15)20(26)23-16-9-12-24(13-10-16)19(25)8-11-22-21(27)18-7-4-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyRWWAMWXHBNAQFQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.13
Rot. Bonds6

About N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 39510053) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
PubChem CID39510053
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CCNC(=O)c2ccco2)CC1
InChIInChI=1S/C21H25N3O4/c1-15-5-2-3-6-17(15)20(26)23-16-9-12-24(13-10-16)19(25)8-11-22-21(27)18-7-4-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyRWWAMWXHBNAQFQ-UHFFFAOYSA-N
XLogP2.13
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-[1-[3-(furan-2-carbonylamino)propanoyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154872226
1-[3-(furan-2-carbonylamino)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39701754
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 51327520
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide (CID 39510053) is N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide is Cc1ccccc1C(=O)NC1CCN(C(=O)CCNC(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is RWWAMWXHBNAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-5-2-3-6-17(15)20(26)23-16-9-12-24(13-10-16)19(25)8-11-22-21(27)18-7-4-14-28-18/h2-7,14,16H,8-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 39510053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).