(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

C16H28N4O2 — CID 95189549

IUPAC(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)NCc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C16H28N4O2/c1-5-20-13(4)15(12(3)18-20)10-17-16(21)19-9-7-8-14(11-19)22-6-2/h14H,5-11H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyWDTLCQKCVFAFPL-AWEZNQCLSA-N
MW308.43 g/mol
LogP2.23
Rot. Bonds5

About (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide

(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 95189549) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID95189549
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCCO[C@H]1CCCN(C(=O)NCc2c(C)nn(CC)c2C)C1
InChIInChI=1S/C16H28N4O2/c1-5-20-13(4)15(12(3)18-20)10-17-16(21)19-9-7-8-14(11-19)22-6-2/h14H,5-11H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyWDTLCQKCVFAFPL-AWEZNQCLSA-N
XLogP2.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437226
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 71925662
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
3-(2,5-dihydropyrrol-1-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
CID 71868465

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 95189549) is (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is CCO[C@H]1CCCN(C(=O)NCc2c(C)nn(CC)c2C)C1.
What is the InChIKey of (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is WDTLCQKCVFAFPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-20-13(4)15(12(3)18-20)10-17-16(21)19-9-7-8-14(11-19)22-6-2/h14H,5-11H2,1-4H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95189549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).