N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide

C23H28N4O2 — CID 60508760

IUPACN-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1)NC1CC1
InChIInChI=1S/C23H28N4O2/c28-22(18-8-10-19(11-9-18)25-23(29)26-20-12-13-20)24-21-7-4-14-27(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2,(H,24,28)(H2,25,26,29)
InChIKeyVJSHGRQBMLTABG-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.36
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide

N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide (PubChem CID 60508760) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
PubChem CID60508760
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1)NC1CC1
InChIInChI=1S/C23H28N4O2/c28-22(18-8-10-19(11-9-18)25-23(29)26-20-12-13-20)24-21-7-4-14-27(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2,(H,24,28)(H2,25,26,29)
InChIKeyVJSHGRQBMLTABG-UHFFFAOYSA-N
XLogP3.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17180568
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide (CID 60508760) is N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide is O=C(Nc1ccc(C(=O)NC2CCCN(Cc3ccccc3)C2)cc1)NC1CC1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
The InChIKey is VJSHGRQBMLTABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(18-8-10-19(11-9-18)25-23(29)26-20-12-13-20)24-21-7-4-14-27(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,20-21H,4,7,12-16H2,(H,24,28)(H2,25,26,29).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide?
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide is sourced from PubChem (CID 60508760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).