N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide

C17H25N3O2 — CID 124691388

IUPACN-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(18)16-4-3-9-20(11-16)17(22)15-7-5-14(6-8-15)10-19-13(2)21/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21)/t12-,16+/m0/s1
InChIKeyBVAHUYXUGBDKRC-BLLLJJGKSA-N
MW303.41 g/mol
LogP1.52
Rot. Bonds4

About N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide

N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 124691388) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID124691388
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(18)16-4-3-9-20(11-16)17(22)15-7-5-14(6-8-15)10-19-13(2)21/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21)/t12-,16+/m0/s1
InChIKeyBVAHUYXUGBDKRC-BLLLJJGKSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]ethanesulfonamide
CID 119595265
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 62917587
[3-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119595101
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 119491018
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
[3-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 119594454

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide (CID 124691388) is N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1.
What is the InChIKey of N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is BVAHUYXUGBDKRC-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(18)16-4-3-9-20(11-16)17(22)15-7-5-14(6-8-15)10-19-13(2)21/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21)/t12-,16+/m0/s1.
What are the key properties of N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide?
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 124691388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).