1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide

C17H30N4O2 — CID 71989763

IUPAC1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C17H30N4O2/c18-16(22)14-5-9-21(10-6-14)17(23)19-15-7-8-20(12-15)11-13-3-1-2-4-13/h13-15H,1-12H2,(H2,18,22)(H,19,23)
InChIKeyFEIJSRQGVFQMFL-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.16
Rot. Bonds4

About 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide

1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide (PubChem CID 71989763) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
PubChem CID71989763
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C17H30N4O2/c18-16(22)14-5-9-21(10-6-14)17(23)19-15-7-8-20(12-15)11-13-3-1-2-4-13/h13-15H,1-12H2,(H2,18,22)(H,19,23)
InChIKeyFEIJSRQGVFQMFL-UHFFFAOYSA-N
XLogP1.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide (CID 71989763) is 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NC2CCN(CC3CCCC3)C2)CC1.
What is the InChIKey of 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The InChIKey is FEIJSRQGVFQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c18-16(22)14-5-9-21(10-6-14)17(23)19-15-7-8-20(12-15)11-13-3-1-2-4-13/h13-15H,1-12H2,(H2,18,22)(H,19,23).
What are the key properties of 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 71989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).