(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide

C16H28N4O — CID 97186910

IUPAC(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCCc2cnn(C)c2)C1
InChIInChI=1S/C16H28N4O/c1-4-20-10-6-8-16(2,13-20)15(21)17-9-5-7-14-11-18-19(3)12-14/h11-12H,4-10,13H2,1-3H3,(H,17,21)/t16-/m0/s1
InChIKeyBDPJHHPFDNTMQX-INIZCTEOSA-N
MW292.43 g/mol
LogP1.59
Rot. Bonds6

About (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide

(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide (PubChem CID 97186910) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
PubChem CID97186910
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCCc2cnn(C)c2)C1
InChIInChI=1S/C16H28N4O/c1-4-20-10-6-8-16(2,13-20)15(21)17-9-5-7-14-11-18-19(3)12-14/h11-12H,4-10,13H2,1-3H3,(H,17,21)/t16-/m0/s1
InChIKeyBDPJHHPFDNTMQX-INIZCTEOSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 126445765
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505787
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
CID 126439584
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
(3S)-1-ethyl-3-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 97195270
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 78995061

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide (CID 97186910) is (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide is CCN1CCC[C@](C)(C(=O)NCCCc2cnn(C)c2)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
The InChIKey is BDPJHHPFDNTMQX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20-10-6-8-16(2,13-20)15(21)17-9-5-7-14-11-18-19(3)12-14/h11-12H,4-10,13H2,1-3H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide?
(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 97186910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).