N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide

C23H30N2O — CID 72839201

IUPACN-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1ccc(C(C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-3-23(26)24-17-21-9-5-6-10-22(21)20-13-11-19(12-14-20)18(2)25-15-7-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26)
InChIKeyFDJYYFFDBLRHPD-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.93
Rot. Bonds6

About N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide

N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide (PubChem CID 72839201) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
PubChem CID72839201
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1-c1ccc(C(C)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-3-23(26)24-17-21-9-5-6-10-22(21)20-13-11-19(12-14-20)18(2)25-15-7-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26)
InChIKeyFDJYYFFDBLRHPD-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
CID 95208495
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
CID 55940350
N-[[2-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]propanamide
CID 121497725
N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide
CID 172666895
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
CID 120562027
N-[(1R)-1-[4-[2-(morpholin-4-ylmethyl)phenyl]phenyl]ethyl]acetamide
CID 97455580
N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
CID 99952412
4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
CID 55823394
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
CID 120565155
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide (CID 72839201) is N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1-c1ccc(C(C)N2CCCCC2)cc1.
What is the InChIKey of N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide?
The InChIKey is FDJYYFFDBLRHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-23(26)24-17-21-9-5-6-10-22(21)20-13-11-19(12-14-20)18(2)25-15-7-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide?
N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide is sourced from PubChem (CID 72839201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).