(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide

C14H22N4O2 — CID 95274619

IUPAC(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CCC(=O)NC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)10-7-11(18(4)17-10)16-13(20)9-5-6-12(19)15-8-9/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,16,20)/t9-/m0/s1
InChIKeyCDNGJTJQHRAIBX-VIFPVBQESA-N
MW278.36 g/mol
LogP1.18
Rot. Bonds2

About (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide

(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 95274619) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
PubChem CID95274619
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CCC(=O)NC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)10-7-11(18(4)17-10)16-13(20)9-5-6-12(19)15-8-9/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,16,20)/t9-/m0/s1
InChIKeyCDNGJTJQHRAIBX-VIFPVBQESA-N
XLogP1.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide (CID 95274619) is (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CCC(=O)NC1.
What is the InChIKey of (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CDNGJTJQHRAIBX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)10-7-11(18(4)17-10)16-13(20)9-5-6-12(19)15-8-9/h7,9H,5-6,8H2,1-4H3,(H,15,19)(H,16,20)/t9-/m0/s1.
What are the key properties of (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95274619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).