1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide

C25H40N4O2 — CID 45243943

IUPAC1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1
InChIInChI=1S/C25H40N4O2/c1-19(2)16-20-7-9-21(10-8-20)17-28-13-5-6-23(18-28)26-24(30)22-11-14-29(15-12-22)25(31)27(3)4/h7-10,19,22-23H,5-6,11-18H2,1-4H3,(H,26,30)
InChIKeyXXLCOVPJLQOUIV-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.36
Rot. Bonds6

About 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide (PubChem CID 45243943) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
PubChem CID45243943
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide
SMILESCC(C)Cc1ccc(CN2CCCC(NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1
InChIInChI=1S/C25H40N4O2/c1-19(2)16-20-7-9-21(10-8-20)17-28-13-5-6-23(18-28)26-24(30)22-11-14-29(15-12-22)25(31)27(3)4/h7-10,19,22-23H,5-6,11-18H2,1-4H3,(H,26,30)
InChIKeyXXLCOVPJLQOUIV-UHFFFAOYSA-N
XLogP3.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-6-oxopyridazine-3-carboxamide
CID 42382294
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45170113
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45215918
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45246796
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
3-[2-[[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]amino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45238426
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-2-(5-oxo-2H-oxadiazol-3-ium-3-yl)acetamide
CID 45238427
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 92664819

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide (CID 45243943) is 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide is CC(C)Cc1ccc(CN2CCCC(NC(=O)C3CCN(C(=O)N(C)C)CC3)C2)cc1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide?
The InChIKey is XXLCOVPJLQOUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-19(2)16-20-7-9-21(10-8-20)17-28-13-5-6-23(18-28)26-24(30)22-11-14-29(15-12-22)25(31)27(3)4/h7-10,19,22-23H,5-6,11-18H2,1-4H3,(H,26,30).
What are the key properties of 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide has a molecular weight of 428.62 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 45243943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).