N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide

C29H40N4O2 — CID 126509704

IUPACN-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1)c1ccccn1
InChIInChI=1S/C29H40N4O2/c1-2-27(34)33(26-12-6-9-16-30-26)24-28(15-21-35-29(23-28)13-7-8-14-29)32-19-17-31(18-20-32)22-25-10-4-3-5-11-25/h3-6,9-12,16H,2,7-8,13-15,17-24H2,1H3
InChIKeyZHTYUHPBXKHDJP-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.50
Rot. Bonds7

About N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide

N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide (PubChem CID 126509704) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide
PubChem CID126509704
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC NameN-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1)c1ccccn1
InChIInChI=1S/C29H40N4O2/c1-2-27(34)33(26-12-6-9-16-30-26)24-28(15-21-35-29(23-28)13-7-8-14-29)32-19-17-31(18-20-32)22-25-10-4-3-5-11-25/h3-6,9-12,16H,2,7-8,13-15,17-24H2,1H3
InChIKeyZHTYUHPBXKHDJP-UHFFFAOYSA-N
XLogP4.50
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
2-Methyl-9-(2-phenylethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567606
4-(3-Fluoro-2-pyridinyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567747
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509231
N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509529
N-[[4-[4-(1-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126509586
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126539376
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide
CID 126539469
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
CID 156782594
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pyridin-2-ylpropanamide
CID 166628747
1-(1-tert-Butoxy-2-phenylethyl)-4-(pyridin-2-yl)piperazine--hydrogen chloride (1/3)
CID 203035
Propanamide, N-(1-methyl-2-(4-phenyl-1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 3041481

Frequently Asked Questions

What is the IUPAC name of N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide (CID 126509704) is N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOC2(CCCC2)C1)c1ccccn1.
What is the InChIKey of N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide?
The InChIKey is ZHTYUHPBXKHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-2-27(34)33(26-12-6-9-16-30-26)24-28(15-21-35-29(23-28)13-7-8-14-29)32-19-17-31(18-20-32)22-25-10-4-3-5-11-25/h3-6,9-12,16H,2,7-8,13-15,17-24H2,1H3.
What are the key properties of N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide?
N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide has a molecular weight of 476.67 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9-yl]methyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 126509704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).