1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide

C16H28N4O2 — CID 119512673

IUPAC1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCN1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N4O2/c21-15(18-12-14-4-3-7-17-14)13-5-10-20(11-6-13)16(22)19-8-1-2-9-19/h13-14,17H,1-12H2,(H,18,21)
InChIKeyNPEZJUDFZPXPBN-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.78
Rot. Bonds3

About 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide

1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 119512673) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID119512673
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCN1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N4O2/c21-15(18-12-14-4-3-7-17-14)13-5-10-20(11-6-13)16(22)19-8-1-2-9-19/h13-14,17H,1-12H2,(H,18,21)
InChIKeyNPEZJUDFZPXPBN-UHFFFAOYSA-N
XLogP0.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide (CID 119512673) is 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCN1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NPEZJUDFZPXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c21-15(18-12-14-4-3-7-17-14)13-5-10-20(11-6-13)16(22)19-8-1-2-9-19/h13-14,17H,1-12H2,(H,18,21).
What are the key properties of 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide?
1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119512673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).