(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C15H20ClN3O — CID 61108944

IUPAC(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H20ClN3O/c16-12-3-4-14(17)13(9-12)15(20)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyYUJUPRVOSOTHPF-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.09
Rot. Bonds3

About (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 61108944) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID61108944
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H20ClN3O/c16-12-3-4-14(17)13(9-12)15(20)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,17H2
InChIKeyYUJUPRVOSOTHPF-UHFFFAOYSA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
(3-amino-5-bromo-2-methylphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 107872402
(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115199
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
4-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79582865
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983632
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 61108944) is (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is Nc1ccc(Cl)cc1C(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is YUJUPRVOSOTHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-3-4-14(17)13(9-12)15(20)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,17H2.
What are the key properties of (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.80 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61108944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).