4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

C14H22N4O3 — CID 79702373

IUPAC4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H22N4O3/c1-2-7-17(10-11-3-5-15-6-4-11)14(19)13-8-12(9-16-13)18(20)21/h8-9,11,15-16H,2-7,10H2,1H3
InChIKeySMUJPXURIKGOEP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.77
Rot. Bonds6

About 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide

4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 79702373) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID79702373
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CC1CCNCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H22N4O3/c1-2-7-17(10-11-3-5-15-6-4-11)14(19)13-8-12(9-16-13)18(20)21/h8-9,11,15-16H,2-7,10H2,1H3
InChIKeySMUJPXURIKGOEP-UHFFFAOYSA-N
XLogP1.77
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4-nitro-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79716251
5-nitro-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-carboxamide
CID 79701574
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
CID 79701435
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379
5-methyl-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-carboxamide
CID 79720330
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202
N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106628723
N-(cyclopropylmethyl)-3-methylsulfonyl-5-nitro-N-propylbenzamide
CID 47852057
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151
1,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylpyrazole-4-carboxamide
CID 79720334

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide (CID 79702373) is 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is CCCN(CC1CCNCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is SMUJPXURIKGOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-7-17(10-11-3-5-15-6-4-11)14(19)13-8-12(9-16-13)18(20)21/h8-9,11,15-16H,2-7,10H2,1H3.
What are the key properties of 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide?
4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79702373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).