N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide

C19H22ClN3O3 — CID 86830485

IUPACN-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-13(21-19(25)17-6-5-11-26-17)18(24)22-14-7-8-16(15(20)12-14)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeySHQWFTDJCZPYIV-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 86830485) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID86830485
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-13(21-19(25)17-6-5-11-26-17)18(24)22-14-7-8-16(15(20)12-14)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeySHQWFTDJCZPYIV-UHFFFAOYSA-N
XLogP3.68
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24576002
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-[1-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55778376
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 86830485) is N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is SHQWFTDJCZPYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(21-19(25)17-6-5-11-26-17)18(24)22-14-7-8-16(15(20)12-14)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86830485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).