N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C16H29N5O — CID 91911869

IUPACN,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-5-19(6-2)16(22)20-9-7-8-14(11-20)10-15-18-17-12-21(15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFZPLTKPRAPFFKB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.58
Rot. Bonds5

About N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 91911869) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID91911869
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C16H29N5O/c1-5-19(6-2)16(22)20-9-7-8-14(11-20)10-15-18-17-12-21(15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFZPLTKPRAPFFKB-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 45829864
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
4-(azepan-1-ylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 53505211
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-propionylpiperidine
CID 72933217
4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 75440447
N-Cyclopentyl-4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91908948
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 110196063
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 91911869) is N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCCC(Cc2nncn2C(C)C)C1.
What is the InChIKey of N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is FZPLTKPRAPFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-5-19(6-2)16(22)20-9-7-8-14(11-20)10-15-18-17-12-21(15)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91911869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).