3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide

C22H29N3O2 — CID 119954117

IUPAC3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c23-21(17-6-2-1-3-7-17)14-22(27)24-15-18-8-4-5-9-19(18)16-25-12-10-20(26)11-13-25/h1-9,20-21,26H,10-16,23H2,(H,24,27)
InChIKeyBDNXYSHAELMVCR-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.35
Rot. Bonds7

About 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide

3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide (PubChem CID 119954117) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
PubChem CID119954117
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c23-21(17-6-2-1-3-7-17)14-22(27)24-15-18-8-4-5-9-19(18)16-25-12-10-20(26)11-13-25/h1-9,20-21,26H,10-16,23H2,(H,24,27)
InChIKeyBDNXYSHAELMVCR-UHFFFAOYSA-N
XLogP2.35
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-yloxypropanamide
CID 111697213
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 111697205
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 111781740
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide (CID 119954117) is 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide is NC(CC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
The InChIKey is BDNXYSHAELMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-21(17-6-2-1-3-7-17)14-22(27)24-15-18-8-4-5-9-19(18)16-25-12-10-20(26)11-13-25/h1-9,20-21,26H,10-16,23H2,(H,24,27).
What are the key properties of 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide?
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119954117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).