5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide

C18H28N4O2 — CID 42755610

IUPAC5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H28N4O2/c1-4-10-19-17(23)15-13-14(20-18(24)21(2)3)8-9-16(15)22-11-6-5-7-12-22/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyHACINJBWWYHOFK-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.91
Rot. Bonds5

About 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide

5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide (PubChem CID 42755610) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
PubChem CID42755610
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H28N4O2/c1-4-10-19-17(23)15-13-14(20-18(24)21(2)3)8-9-16(15)22-11-6-5-7-12-22/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyHACINJBWWYHOFK-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
5-[(2,4-dimethoxybenzoyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 4546352
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
ethyl 4-[[3-(propylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 4285590
5-[(2-phenylcyclopropanecarbonyl)amino]-2-piperidin-1-yl-N-propylbenzamide
CID 5040811

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide (CID 42755610) is 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCCC1.
What is the InChIKey of 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide?
The InChIKey is HACINJBWWYHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-10-19-17(23)15-13-14(20-18(24)21(2)3)8-9-16(15)22-11-6-5-7-12-22/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide?
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide has a molecular weight of 332.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide is sourced from PubChem (CID 42755610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).