3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride

C21H28Cl2N4O2 — CID 119870552

IUPAC3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15(17-5-3-9-23-14-17)12-20(26)24-19-6-2-4-16(13-19)21(27)25-18-7-10-22-11-8-18;;/h2,4,6-8,10-11,13,15,17,23H,3,5,9,12,14H2,1H3,(H,24,26)(H,22,25,27);2*1H
InChIKeyVPPFEAHAMDHJAT-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.14
Rot. Bonds6

About 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride

3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride (PubChem CID 119870552) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
PubChem CID119870552
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC Name3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15(17-5-3-9-23-14-17)12-20(26)24-19-6-2-4-16(13-19)21(27)25-18-7-10-22-11-8-18;;/h2,4,6-8,10-11,13,15,17,23H,3,5,9,12,14H2,1H3,(H,24,26)(H,22,25,27);2*1H
InChIKeyVPPFEAHAMDHJAT-UHFFFAOYSA-N
XLogP4.14
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 119848954
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712326
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride?
The IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride (CID 119870552) is 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride.
What is the SMILES notation for 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride?
The canonical SMILES for 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride is CC(CC(=O)Nc1cccc(C(=O)Nc2ccncc2)c1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride?
The InChIKey is VPPFEAHAMDHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c1-15(17-5-3-9-23-14-17)12-20(26)24-19-6-2-4-16(13-19)21(27)25-18-7-10-22-11-8-18;;/h2,4,6-8,10-11,13,15,17,23H,3,5,9,12,14H2,1H3,(H,24,26)(H,22,25,27);2*1H.
What are the key properties of 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride?
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119870552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).