(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C23H31N3O3 — CID 25351726

IUPAC(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H31N3O3/c1-16-11-13-26(14-12-16)19-7-5-18(6-8-19)24-17(2)23(27)25-21-15-20(28-3)9-10-22(21)29-4/h5-10,15-17,24H,11-14H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyLYLGXBISMKDCEM-KRWDZBQOSA-N
MW397.52 g/mol
LogP4.38
Rot. Bonds7

About (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide

(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 25351726) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID25351726
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H31N3O3/c1-16-11-13-26(14-12-16)19-7-5-18(6-8-19)24-17(2)23(27)25-21-15-20(28-3)9-10-22(21)29-4/h5-10,15-17,24H,11-14H2,1-4H3,(H,25,27)/t17-/m0/s1
InChIKeyLYLGXBISMKDCEM-KRWDZBQOSA-N
XLogP4.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25354796
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
N'-(2,5-dimethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987415
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 4292590
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 25351726) is (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide is COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is LYLGXBISMKDCEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-11-13-26(14-12-16)19-7-5-18(6-8-19)24-17(2)23(27)25-21-15-20(28-3)9-10-22(21)29-4/h5-10,15-17,24H,11-14H2,1-4H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 397.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 25351726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).