N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C17H30N4O2 — CID 91910215

IUPACN-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3CCNCC3)C2)CC1
InChIInChI=1S/C17H30N4O2/c1-18-17(23)20-9-4-13(5-10-20)15-6-11-21(12-15)16(22)14-2-7-19-8-3-14/h13-15,19H,2-12H2,1H3,(H,18,23)
InChIKeyHFFMHJCCZAIDGP-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.89
Rot. Bonds2

About N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91910215) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91910215
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)C3CCNCC3)C2)CC1
InChIInChI=1S/C17H30N4O2/c1-18-17(23)20-9-4-13(5-10-20)15-6-11-21(12-15)16(22)14-2-7-19-8-3-14/h13-15,19H,2-12H2,1H3,(H,18,23)
InChIKeyHFFMHJCCZAIDGP-UHFFFAOYSA-N
XLogP0.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91910215) is N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)C3CCNCC3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is HFFMHJCCZAIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-18-17(23)20-9-4-13(5-10-20)15-6-11-21(12-15)16(22)14-2-7-19-8-3-14/h13-15,19H,2-12H2,1H3,(H,18,23).
What are the key properties of N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91910215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).