(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

C18H26N4O — CID 100744073

IUPAC(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H26N4O/c23-18(14-4-2-1-3-5-14)19-15-8-10-22(11-9-15)17-12-16(20-21-17)13-6-7-13/h1-2,12-15H,3-11H2,(H,19,23)(H,20,21)/t14-/m1/s1
InChIKeyABAQPULGOXVLAX-CQSZACIVSA-N
MW314.43 g/mol
LogP2.73
Rot. Bonds4

About (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide

(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 100744073) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
PubChem CID100744073
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H26N4O/c23-18(14-4-2-1-3-5-14)19-15-8-10-22(11-9-15)17-12-16(20-21-17)13-6-7-13/h1-2,12-15H,3-11H2,(H,19,23)(H,20,21)/t14-/m1/s1
InChIKeyABAQPULGOXVLAX-CQSZACIVSA-N
XLogP2.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide (CID 100744073) is (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ABAQPULGOXVLAX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O/c23-18(14-4-2-1-3-5-14)19-15-8-10-22(11-9-15)17-12-16(20-21-17)13-6-7-13/h1-2,12-15H,3-11H2,(H,19,23)(H,20,21)/t14-/m1/s1.
What are the key properties of (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100744073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).