2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

C18H27ClN4O2 — CID 119786123

IUPAC2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1N1CCCCC1
InChIInChI=1S/C18H26N4O2.ClH/c19-18(24)15-7-6-14(11-16(15)22-9-2-1-3-10-22)21-17(23)12-13-5-4-8-20-13;/h6-7,11,13,20H,1-5,8-10,12H2,(H2,19,24)(H,21,23);1H
InChIKeyYKFLEEJHEHCJMC-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.28
Rot. Bonds5

About 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119786123) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119786123
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1N1CCCCC1
InChIInChI=1S/C18H26N4O2.ClH/c19-18(24)15-7-6-14(11-16(15)22-9-2-1-3-10-22)21-17(23)12-13-5-4-8-20-13;/h6-7,11,13,20H,1-5,8-10,12H2,(H2,19,24)(H,21,23);1H
InChIKeyYKFLEEJHEHCJMC-UHFFFAOYSA-N
XLogP2.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(cyclopropylmethylamino)acetyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786105
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786091
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-ethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119801398
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119828255
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(9H-fluoren-2-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680276

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119786123) is 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is Cl.NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is YKFLEEJHEHCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c19-18(24)15-7-6-14(11-16(15)22-9-2-1-3-10-22)21-17(23)12-13-5-4-8-20-13;/h6-7,11,13,20H,1-5,8-10,12H2,(H2,19,24)(H,21,23);1H.
What are the key properties of 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119786123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).