(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone

C15H20N4O3 — CID 119378626

IUPAC(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C15H20N4O3/c16-11-2-1-7-18(9-11)15(20)10-3-6-13(17-12-4-5-12)14(8-10)19(21)22/h3,6,8,11-12,17H,1-2,4-5,7,9,16H2
InChIKeyKKIMPTRJCVZWPD-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.73
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone

(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone (PubChem CID 119378626) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone
PubChem CID119378626
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C15H20N4O3/c16-11-2-1-7-18(9-11)15(20)10-3-6-13(17-12-4-5-12)14(8-10)19(21)22/h3,6,8,11-12,17H,1-2,4-5,7,9,16H2
InChIKeyKKIMPTRJCVZWPD-UHFFFAOYSA-N
XLogP1.73
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119374093
[4-(cyclopropylamino)-3-nitrophenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539671
1-[4-(cyclopropylamino)-3-nitrobenzoyl]pyrrolidine-3-carboxylic acid
CID 119354190
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119632093
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645510
[(3R)-3-aminopiperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 102978473
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(cyclopropylamino)-3-nitrobenzoate
CID 7650148
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 52724340
[(3S,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 95333949
[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone
CID 124778522
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone (CID 119378626) is (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone is NC1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone?
The InChIKey is KKIMPTRJCVZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-11-2-1-7-18(9-11)15(20)10-3-6-13(17-12-4-5-12)14(8-10)19(21)22/h3,6,8,11-12,17H,1-2,4-5,7,9,16H2.
What are the key properties of (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone?
(3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone has a molecular weight of 304.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone is sourced from PubChem (CID 119378626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).