N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

C16H26N6O2 — CID 91828477

IUPACN,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1nc(C2CCCN2C(=O)C2CCN(C(=O)N(C)C)CC2)n[nH]1
InChIInChI=1S/C16H26N6O2/c1-11-17-14(19-18-11)13-5-4-8-22(13)15(23)12-6-9-21(10-7-12)16(24)20(2)3/h12-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyLNHBAHXEPBKZDN-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.17
Rot. Bonds2

About N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide

N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 91828477) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID91828477
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1nc(C2CCCN2C(=O)C2CCN(C(=O)N(C)C)CC2)n[nH]1
InChIInChI=1S/C16H26N6O2/c1-11-17-14(19-18-11)13-5-4-8-22(13)15(23)12-6-9-21(10-7-12)16(24)20(2)3/h12-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyLNHBAHXEPBKZDN-UHFFFAOYSA-N
XLogP1.17
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 91828477) is N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is Cc1nc(C2CCCN2C(=O)C2CCN(C(=O)N(C)C)CC2)n[nH]1.
What is the InChIKey of N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is LNHBAHXEPBKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11-17-14(19-18-11)13-5-4-8-22(13)15(23)12-6-9-21(10-7-12)16(24)20(2)3/h12-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 91828477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).