N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C22H33N5O3 — CID 67620952

IUPACN-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCC(=O)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C22H33N5O3/c1-2-20(28)25-19(22(30)27-12-4-3-5-13-27)16-24-21(29)17-8-14-26(15-9-17)18-6-10-23-11-7-18/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3,(H,24,29)(H,25,28)
InChIKeyXSTMOMMNSDRAEB-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.32
Rot. Bonds7

About N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 67620952) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID67620952
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCCC(=O)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1
InChIInChI=1S/C22H33N5O3/c1-2-20(28)25-19(22(30)27-12-4-3-5-13-27)16-24-21(29)17-8-14-26(15-9-17)18-6-10-23-11-7-18/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3,(H,24,29)(H,25,28)
InChIKeyXSTMOMMNSDRAEB-UHFFFAOYSA-N
XLogP1.32
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
ethyl 2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]propanoate
CID 22721782
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 174493993
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384789
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
[1-oxo-3-(1-propylpiperidin-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]carbamic acid
CID 139347387

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 67620952) is N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is CCC(=O)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1.
What is the InChIKey of N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is XSTMOMMNSDRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-2-20(28)25-19(22(30)27-12-4-3-5-13-27)16-24-21(29)17-8-14-26(15-9-17)18-6-10-23-11-7-18/h6-7,10-11,17,19H,2-5,8-9,12-16H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-piperidin-1-yl-2-(propanoylamino)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67620952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).