1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide

C14H22N4O3 — CID 60805753

IUPAC1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCNCC1
InChIInChI=1S/C14H22N4O3/c1-3-8-17(11-4-6-15-7-5-11)14(19)13-9-12(18(20)21)10-16(13)2/h9-11,15H,3-8H2,1-2H3
InChIKeyNIEGPMHDZAECBC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds5

About 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide

1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide (PubChem CID 60805753) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
PubChem CID60805753
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCNCC1
InChIInChI=1S/C14H22N4O3/c1-3-8-17(11-4-6-15-7-5-11)14(19)13-9-12(18(20)21)10-16(13)2/h9-11,15H,3-8H2,1-2H3
InChIKeyNIEGPMHDZAECBC-UHFFFAOYSA-N
XLogP1.54
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
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

N-(2-bromoethyl)-N-cyclobutyl-1-methyl-4-nitropyrrole-2-carboxamide
CID 102872949
4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 119823974
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826016
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide
CID 79117949

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide (CID 60805753) is 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCNCC1.
What is the InChIKey of 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
The InChIKey is NIEGPMHDZAECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-8-17(11-4-6-15-7-5-11)14(19)13-9-12(18(20)21)10-16(13)2/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide?
1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60805753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).