N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C15H28N4O2 — CID 91921393

IUPACN-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C15H28N4O2/c1-11(2)17-15(21)19-9-6-13(10-19)12-4-7-18(8-5-12)14(20)16-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeySKNJTPJRZBCGGC-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.48
Rot. Bonds2

About N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921393) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921393
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C15H28N4O2/c1-11(2)17-15(21)19-9-6-13(10-19)12-4-7-18(8-5-12)14(20)16-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeySKNJTPJRZBCGGC-UHFFFAOYSA-N
XLogP1.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921393) is N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)NC(C)C)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is SKNJTPJRZBCGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)17-15(21)19-9-6-13(10-19)12-4-7-18(8-5-12)14(20)16-3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).