1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide

C18H34N4O2 — CID 119531454

IUPAC1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
SMILESCCCN(C(=O)C1CCCN(C(=O)NCC(C)C)C1)C1CCNC1
InChIInChI=1S/C18H34N4O2/c1-4-9-22(16-7-8-19-12-16)17(23)15-6-5-10-21(13-15)18(24)20-11-14(2)3/h14-16,19H,4-13H2,1-3H3,(H,20,24)
InChIKeyCJJIABFZZFOKKF-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.66
Rot. Bonds6

About 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide

1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide (PubChem CID 119531454) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
PubChem CID119531454
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
SMILESCCCN(C(=O)C1CCCN(C(=O)NCC(C)C)C1)C1CCNC1
InChIInChI=1S/C18H34N4O2/c1-4-9-22(16-7-8-19-12-16)17(23)15-6-5-10-21(13-15)18(24)20-11-14(2)3/h14-16,19H,4-13H2,1-3H3,(H,20,24)
InChIKeyCJJIABFZZFOKKF-UHFFFAOYSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532515
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 119823569
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119824032
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide (CID 119531454) is 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide is CCCN(C(=O)C1CCCN(C(=O)NCC(C)C)C1)C1CCNC1.
What is the InChIKey of 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide?
The InChIKey is CJJIABFZZFOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-4-9-22(16-7-8-19-12-16)17(23)15-6-5-10-21(13-15)18(24)20-11-14(2)3/h14-16,19H,4-13H2,1-3H3,(H,20,24).
What are the key properties of 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide?
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 119531454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).