(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C18H30N4O2 — CID 42383376

IUPAC(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)CCN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyDEGIBWQHOTVXHO-OAHLLOKOSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds6

About (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 42383376) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID42383376
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC(C)CCN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyDEGIBWQHOTVXHO-OAHLLOKOSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42378611
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45179421
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42392111
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45242836
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 42383376) is (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC(C)CCN1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1.
What is the InChIKey of (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is DEGIBWQHOTVXHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)4-9-21-10-5-16(6-11-21)22-17(3-8-19-22)20-18(23)15-7-12-24-13-15/h3,8,14-16H,4-7,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 42383376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).