(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone

C14H20N4O3 — CID 115312234

IUPAC(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C14H20N4O3/c1-9-6-10(15)4-5-16(9)14(19)13-7-12(18(20)21)8-17(13)11-2-3-11/h7-11H,2-6,15H2,1H3
InChIKeyZYXXBOWLHQZMBU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.68
Rot. Bonds3

About (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone

(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone (PubChem CID 115312234) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone
PubChem CID115312234
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone
SMILESCC1CC(N)CCN1C(=O)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C14H20N4O3/c1-9-6-10(15)4-5-16(9)14(19)13-7-12(18(20)21)8-17(13)11-2-3-11/h7-11H,2-6,15H2,1H3
InChIKeyZYXXBOWLHQZMBU-UHFFFAOYSA-N
XLogP1.68
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-amino-2-methylpiperidin-1-yl)-(1-ethyl-4-nitropyrrol-2-yl)methanone
CID 115312251
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
(1-cyclopropyl-4-nitropyrrol-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115966105
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
(1-cyclopropyl-4-nitropyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81197740
N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
CID 66185142
2-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)-methylamino]propanoic acid
CID 62626748
(1-methyl-4-nitropyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705263
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
1-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4-nitropyrrole-2-carboxamide
CID 104981753
1-cyclopropyl-N-(4-methylpiperidin-4-yl)-4-nitropyrrole-2-carboxamide
CID 114696474

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone (CID 115312234) is (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone is CC1CC(N)CCN1C(=O)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone?
The InChIKey is ZYXXBOWLHQZMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-6-10(15)4-5-16(9)14(19)13-7-12(18(20)21)8-17(13)11-2-3-11/h7-11H,2-6,15H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(1-cyclopropyl-4-nitropyrrol-2-yl)methanone is sourced from PubChem (CID 115312234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).