5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one

C22H35N5O2 — CID 110199454

IUPAC5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCCN1CCCC(C(=O)N2CCN(c3ccccn3)CC2)CCNC(=O)CC1
InChIInChI=1S/C22H35N5O2/c1-2-12-25-13-5-6-19(8-11-24-21(28)9-14-25)22(29)27-17-15-26(16-18-27)20-7-3-4-10-23-20/h3-4,7,10,19H,2,5-6,8-9,11-18H2,1H3,(H,24,28)
InChIKeyZFKKREHEIHQAAD-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.75
Rot. Bonds4

About 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one

5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110199454) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110199454
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCCN1CCCC(C(=O)N2CCN(c3ccccn3)CC2)CCNC(=O)CC1
InChIInChI=1S/C22H35N5O2/c1-2-12-25-13-5-6-19(8-11-24-21(28)9-14-25)22(29)27-17-15-26(16-18-27)20-7-3-4-10-23-20/h3-4,7,10,19H,2,5-6,8-9,11-18H2,1H3,(H,24,28)
InChIKeyZFKKREHEIHQAAD-UHFFFAOYSA-N
XLogP1.75
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one with MolForge

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Related Compounds

9-(4-benzylpiperazine-1-carbonyl)-5-(pyridin-3-ylmethyl)-1,5-diazacycloundecan-2-one
CID 110199579
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
9-[4-(2-methylpropyl)piperazine-1-carbonyl]-5-(pyridin-4-ylmethyl)-1,5-diazacycloundecan-2-one
CID 110199537
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
5-(1-methylimidazol-4-yl)sulfonyl-9-(4-phenylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
CID 110199981
9-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-(pyridin-3-ylmethyl)-1,5-diazacycloundecan-2-one
CID 110199622
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
(6S)-2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydrocinnolin-3-one
CID 100740472
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816

Frequently Asked Questions

What is the IUPAC name of 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one (CID 110199454) is 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one is CCCN1CCCC(C(=O)N2CCN(c3ccccn3)CC2)CCNC(=O)CC1.
What is the InChIKey of 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is ZFKKREHEIHQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-2-12-25-13-5-6-19(8-11-24-21(28)9-14-25)22(29)27-17-15-26(16-18-27)20-7-3-4-10-23-20/h3-4,7,10,19H,2,5-6,8-9,11-18H2,1H3,(H,24,28).
What are the key properties of 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one?
5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 401.56 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-9-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110199454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).