N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide

C24H32N2O2 — CID 125044064

IUPACN-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-16-28-23-13-9-21(10-14-23)24(27)25-19(3)20-7-11-22(12-8-20)26-15-5-6-18(2)17-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19-/m0/s1
InChIKeyXNKRZQDKWCRKTB-OALUTQOASA-N
MW380.53 g/mol
LogP5.20
Rot. Bonds7

About N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide

N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide (PubChem CID 125044064) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide
PubChem CID125044064
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-4-16-28-23-13-9-21(10-14-23)24(27)25-19(3)20-7-11-22(12-8-20)26-15-5-6-18(2)17-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19-/m0/s1
InChIKeyXNKRZQDKWCRKTB-OALUTQOASA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
3,5-dimethoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132657563
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
1-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-propylurea
CID 125059089
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125073985
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100679666
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
4-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-prop-2-enylbenzamide
CID 132659686

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide?
The IUPAC name of N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide (CID 125044064) is N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide?
The canonical SMILES for N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide?
The InChIKey is XNKRZQDKWCRKTB-OALUTQOASA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-16-28-23-13-9-21(10-14-23)24(27)25-19(3)20-7-11-22(12-8-20)26-15-5-6-18(2)17-26/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,25,27)/t18-,19-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide?
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide has a molecular weight of 380.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-propoxybenzamide is sourced from PubChem (CID 125044064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).