[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone

C17H23ClN2O — CID 125146800

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O/c1-11(19)13-5-3-7-20(10-13)17(21)16-9-15(16)12-4-2-6-14(18)8-12/h2,4,6,8,11,13,15-16H,3,5,7,9-10,19H2,1H3/t11-,13+,15+,16-/m0/s1
InChIKeyPQVKCMQAQJWXLT-ZCDTZLGTSA-N
MW306.84 g/mol
LogP3.03
Rot. Bonds3

About [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 125146800) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID125146800
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O/c1-11(19)13-5-3-7-20(10-13)17(21)16-9-15(16)12-4-2-6-14(18)8-12/h2,4,6,8,11,13,15-16H,3,5,7,9-10,19H2,1H3/t11-,13+,15+,16-/m0/s1
InChIKeyPQVKCMQAQJWXLT-ZCDTZLGTSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
CID 119593050
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 119596306
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 125146300
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125151836
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779940
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone (CID 125146800) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone is C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is PQVKCMQAQJWXLT-ZCDTZLGTSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11(19)13-5-3-7-20(10-13)17(21)16-9-15(16)12-4-2-6-14(18)8-12/h2,4,6,8,11,13,15-16H,3,5,7,9-10,19H2,1H3/t11-,13+,15+,16-/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 306.84 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 125146800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).