N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide

C14H25N5O — CID 64517088

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCNCC1
InChIInChI=1S/C14H25N5O/c1-4-5-14(6-8-15-9-7-14)13(20)19(3)10-12-16-11(2)17-18-12/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyGTLTZZLGGRFYIS-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.24
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 64517088) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID64517088
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCNCC1
InChIInChI=1S/C14H25N5O/c1-4-5-14(6-8-15-9-7-14)13(20)19(3)10-12-16-11(2)17-18-12/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyGTLTZZLGGRFYIS-UHFFFAOYSA-N
XLogP1.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975311
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
1-carbamothioyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 64519814
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
CID 64518641
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 64518291
N-methyl-3-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 64518648
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-[carboxymethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
CID 64517900
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 65241314

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide (CID 64517088) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N(C)Cc2n[nH]c(C)n2)CCNCC1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is GTLTZZLGGRFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-5-14(6-8-15-9-7-14)13(20)19(3)10-12-16-11(2)17-18-12/h15H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 64517088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).