[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone

C16H20Cl2N2O — CID 81487303

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-12-3-4-15(18)14(9-12)16(21)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2
InChIKeyCLBAGHSKTOOWKR-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 81487303) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID81487303
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-12-3-4-15(18)14(9-12)16(21)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2
InChIKeyCLBAGHSKTOOWKR-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 106502684
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623310
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone (CID 81487303) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is CLBAGHSKTOOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-12-3-4-15(18)14(9-12)16(21)20-7-5-13(6-8-20)19-10-11-1-2-11/h3-4,9,11,13,19H,1-2,5-8,10H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 327.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 81487303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).