(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

C19H27ClN4O — CID 95719083

IUPAC(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1
InChIInChI=1S/C19H27ClN4O/c20-15-3-1-4-16(13-15)22-9-11-23(12-10-22)17-5-2-8-24(14-17)18(25)19(21)6-7-19/h1,3-4,13,17H,2,5-12,14,21H2/t17-/m1/s1
InChIKeyIQTRMCKIZGNTAT-QGZVFWFLSA-N
MW362.91 g/mol
LogP1.94
Rot. Bonds3

About (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 95719083) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID95719083
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1
InChIInChI=1S/C19H27ClN4O/c20-15-3-1-4-16(13-15)22-9-11-23(12-10-22)17-5-2-8-24(14-17)18(25)19(21)6-7-19/h1,3-4,13,17H,2,5-12,14,21H2/t17-/m1/s1
InChIKeyIQTRMCKIZGNTAT-QGZVFWFLSA-N
XLogP1.94
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 25289401
(3-chloro-4-fluorophenyl)-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45231780
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 45228263
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
CID 29029571
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 95719083) is (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is NC1(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is IQTRMCKIZGNTAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27ClN4O/c20-15-3-1-4-16(13-15)22-9-11-23(12-10-22)17-5-2-8-24(14-17)18(25)19(21)6-7-19/h1,3-4,13,17H,2,5-12,14,21H2/t17-/m1/s1.
What are the key properties of (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 362.91 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95719083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).