N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide

C18H32N4O2 — CID 119531751

IUPACN-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCNC1
InChIInChI=1S/C18H32N4O2/c1-2-9-22(16-5-8-19-14-16)17(23)15-6-12-21(13-7-15)18(24)20-10-3-4-11-20/h15-16,19H,2-14H2,1H3
InChIKeyYZVQOIPSBKRMPW-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.51
Rot. Bonds4

About N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide

N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide (PubChem CID 119531751) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
PubChem CID119531751
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCNC1
InChIInChI=1S/C18H32N4O2/c1-2-9-22(16-5-8-19-14-16)17(23)15-6-12-21(13-7-15)18(24)20-10-3-4-11-20/h15-16,19H,2-14H2,1H3
InChIKeyYZVQOIPSBKRMPW-UHFFFAOYSA-N
XLogP1.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
N-(azetidin-3-yl)-N-propylcyclopropanecarboxamide
CID 66181610
1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532515
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-propyl-N-pyrrolidin-3-yloxolane-3-carboxamide;hydrochloride
CID 119260577
N-pyrrolidin-3-yl-N-(3-pyrrolidin-1-ylpropyl)cyclopropanecarboxamide
CID 172908880
N-(azetidin-3-yl)-N-propylpyrrolidine-1-carboxamide
CID 79161145
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
5-oxo-N-piperidin-3-yl-N-propylpyrrolidine-3-carboxamide
CID 83192629

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The IUPAC name of N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide (CID 119531751) is N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCNC1.
What is the InChIKey of N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
The InChIKey is YZVQOIPSBKRMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-2-9-22(16-5-8-19-14-16)17(23)15-6-12-21(13-7-15)18(24)20-10-3-4-11-20/h15-16,19H,2-14H2,1H3.
What are the key properties of N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide?
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 119531751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).