[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C20H30ClN3O2 — CID 155915876

IUPAC[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC[C@H]1N
InChIInChI=1S/C20H30ClN3O2/c1-2-12-26-19-13-15(6-7-18(19)22)20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)14-17/h3-5,14-15,18-19H,2,6-13,22H2,1H3/t15-,18+,19+/m0/s1
InChIKeyFBYIYNHQPVSOEL-KFKAGJAMSA-N
MW379.93 g/mol
LogP2.91
Rot. Bonds5

About [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 155915876) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID155915876
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCCCO[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC[C@H]1N
InChIInChI=1S/C20H30ClN3O2/c1-2-12-26-19-13-15(6-7-18(19)22)20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)14-17/h3-5,14-15,18-19H,2,6-13,22H2,1H3/t15-,18+,19+/m0/s1
InChIKeyFBYIYNHQPVSOEL-KFKAGJAMSA-N
XLogP2.91
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 155508194
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
(4-aminocyclopent-2-en-1-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 79191829
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 155915876) is [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is CCCO[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC[C@H]1N.
What is the InChIKey of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is FBYIYNHQPVSOEL-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-2-12-26-19-13-15(6-7-18(19)22)20(25)24-10-8-23(9-11-24)17-5-3-4-16(21)14-17/h3-5,14-15,18-19H,2,6-13,22H2,1H3/t15-,18+,19+/m0/s1.
What are the key properties of [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 379.93 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155915876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).