4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C19H30N4O — CID 89245487

IUPAC4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN1CCC(N(CCN2CCCC2)C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-21-12-8-18(9-13-21)23(15-14-22-10-2-3-11-22)19(24)16-4-6-17(20)7-5-16/h4-7,18H,2-3,8-15,20H2,1H3
InChIKeyIDQCVUYCZUBDDK-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 89245487) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID89245487
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN1CCC(N(CCN2CCCC2)C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C19H30N4O/c1-21-12-8-18(9-13-21)23(15-14-22-10-2-3-11-22)19(24)16-4-6-17(20)7-5-16/h4-7,18H,2-3,8-15,20H2,1H3
InChIKeyIDQCVUYCZUBDDK-UHFFFAOYSA-N
XLogP1.90
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)-4-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzamide
CID 25061536
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
2-amino-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 56890332
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 89245487) is 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is CN1CCC(N(CCN2CCCC2)C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is IDQCVUYCZUBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-12-8-18(9-13-21)23(15-14-22-10-2-3-11-22)19(24)16-4-6-17(20)7-5-16/h4-7,18H,2-3,8-15,20H2,1H3.
What are the key properties of 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 330.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 89245487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).