N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C16H28N4O2 — CID 75442625

IUPACN-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCC(c2ccn[nH]2)CC1)C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)11-17-15(21)20-9-6-12(7-10-20)13-5-8-18-19-13/h5,8,12,14H,6-7,9-11H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyKWFCMYKSNFTAQK-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.36
Rot. Bonds4

About N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 75442625) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID75442625
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOC(CNC(=O)N1CCC(c2ccn[nH]2)CC1)C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)11-17-15(21)20-9-6-12(7-10-20)13-5-8-18-19-13/h5,8,12,14H,6-7,9-11H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyKWFCMYKSNFTAQK-UHFFFAOYSA-N
XLogP2.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607017
N-(2-piperidin-4-ylethyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 167989838
N-(2-methoxy-3,3-dimethylbutyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 84592861
(3R)-N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607681
2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 119874083
3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
CID 126782517
(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607594
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
N-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75389205
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 120940863
[4-(1H-pyrazol-5-yl)piperidin-1-yl]-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120940862

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 75442625) is N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is COC(CNC(=O)N1CCC(c2ccn[nH]2)CC1)C(C)(C)C.
What is the InChIKey of N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KWFCMYKSNFTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)14(22-4)11-17-15(21)20-9-6-12(7-10-20)13-5-8-18-19-13/h5,8,12,14H,6-7,9-11H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75442625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).