3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide

C22H27N3O2 — CID 119949149

IUPAC3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESNC(CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-20(18-7-3-1-4-8-18)15-21(26)24-16-17-9-11-19(12-10-17)22(27)25-13-5-2-6-14-25/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)
InChIKeyNFGIIELUWPUPER-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.02
Rot. Bonds6

About 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide

3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 119949149) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID119949149
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
SMILESNC(CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-20(18-7-3-1-4-8-18)15-21(26)24-16-17-9-11-19(12-10-17)22(27)25-13-5-2-6-14-25/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)
InChIKeyNFGIIELUWPUPER-UHFFFAOYSA-N
XLogP3.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703
1-benzyl-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110953717
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide (CID 119949149) is 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide is NC(CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is NFGIIELUWPUPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-20(18-7-3-1-4-8-18)15-21(26)24-16-17-9-11-19(12-10-17)22(27)25-13-5-2-6-14-25/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26).
What are the key properties of 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide?
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119949149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).