N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

C18H26N4O2 — CID 86816682

IUPACN-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C(c2ccco2)C1
InChIInChI=1S/C18H26N4O2/c1-13-7-8-21(15(10-13)16-6-5-9-24-16)17(23)20-14-11-19-22(12-14)18(2,3)4/h5-6,9,11-13,15H,7-8,10H2,1-4H3,(H,20,23)
InChIKeyVYHDFFOAETXVGY-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.24
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 86816682) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID86816682
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C(c2ccco2)C1
InChIInChI=1S/C18H26N4O2/c1-13-7-8-21(15(10-13)16-6-5-9-24-16)17(23)20-14-11-19-22(12-14)18(2,3)4/h5-6,9,11-13,15H,7-8,10H2,1-4H3,(H,20,23)
InChIKeyVYHDFFOAETXVGY-UHFFFAOYSA-N
XLogP4.24
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 99705566
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799904
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799787
(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 99714491
5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 71869689
N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 95990597
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
3-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 71989321
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (CID 86816682) is N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C(c2ccco2)C1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VYHDFFOAETXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-7-8-21(15(10-13)16-6-5-9-24-16)17(23)20-14-11-19-22(12-14)18(2,3)4/h5-6,9,11-13,15H,7-8,10H2,1-4H3,(H,20,23).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 86816682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).