(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide

C18H24ClN3O2 — CID 166932367

IUPAC(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESN[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCN(C=O)CC1
InChIInChI=1S/C18H24ClN3O2/c19-15-3-1-14(2-4-15)18(7-8-18)11-21-17(24)16(20)13-5-9-22(12-23)10-6-13/h1-4,12-13,16H,5-11,20H2,(H,21,24)/t16-/m0/s1
InChIKeyWWSOQEYKNKGQFR-INIZCTEOSA-N
MW349.86 g/mol
LogP1.68
Rot. Bonds6

About (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide

(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide (PubChem CID 166932367) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
PubChem CID166932367
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESN[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCN(C=O)CC1
InChIInChI=1S/C18H24ClN3O2/c19-15-3-1-14(2-4-15)18(7-8-18)11-21-17(24)16(20)13-5-9-22(12-23)10-6-13/h1-4,12-13,16H,5-11,20H2,(H,21,24)/t16-/m0/s1
InChIKeyWWSOQEYKNKGQFR-INIZCTEOSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 90290850
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805
2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
CID 166932275
2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932387
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide?
The IUPAC name of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide (CID 166932367) is (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide is N[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CC1)C1CCN(C=O)CC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide?
The InChIKey is WWSOQEYKNKGQFR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-15-3-1-14(2-4-15)18(7-8-18)11-21-17(24)16(20)13-5-9-22(12-23)10-6-13/h1-4,12-13,16H,5-11,20H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide?
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide has a molecular weight of 349.86 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166932367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).