4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide

C18H24N4O3 — CID 26131147

IUPAC4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24N4O3/c23-18(20-14-7-9-21(10-8-14)15-4-5-15)12-1-6-16(19-13-2-3-13)17(11-12)22(24)25/h1,6,11,13-15,19H,2-5,7-10H2,(H,20,23)
InChIKeyAUHOUKGETPEIGG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.53
Rot. Bonds6

About 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide

4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide (PubChem CID 26131147) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
PubChem CID26131147
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24N4O3/c23-18(20-14-7-9-21(10-8-14)15-4-5-15)12-1-6-16(19-13-2-3-13)17(11-12)22(24)25/h1,6,11,13-15,19H,2-5,7-10H2,(H,20,23)
InChIKeyAUHOUKGETPEIGG-UHFFFAOYSA-N
XLogP2.53
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.53
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-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
CID 34000828
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
N-(1-benzylpyrrolidin-3-yl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 24513186
N-cyclopropyl-4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-nitrobenzamide
CID 133399750
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 27032497
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
3-nitro-4-(piperidin-4-ylamino)benzoic acid
CID 22120364
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide (CID 26131147) is 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide is O=C(NC1CCN(C2CC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide?
The InChIKey is AUHOUKGETPEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-18(20-14-7-9-21(10-8-14)15-4-5-15)12-1-6-16(19-13-2-3-13)17(11-12)22(24)25/h1,6,11,13-15,19H,2-5,7-10H2,(H,20,23).
What are the key properties of 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide?
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide has a molecular weight of 344.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide is sourced from PubChem (CID 26131147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).