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

C23H29N5O2 — CID 42392111

IUPAC(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCc1c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H29N5O2/c1-16-19-4-2-3-5-20(19)25-21(16)14-27-11-7-18(8-12-27)28-22(6-10-24-28)26-23(29)17-9-13-30-15-17/h2-6,10,17-18,25H,7-9,11-15H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyHWIIMKYATPZISH-QGZVFWFLSA-N
MW407.52 g/mol
LogP3.48
Rot. Bonds5

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

(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 42392111) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID42392111
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCc1c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)[nH]c2ccccc12
InChIInChI=1S/C23H29N5O2/c1-16-19-4-2-3-5-20(19)25-21(16)14-27-11-7-18(8-12-27)28-22(6-10-24-28)26-23(29)17-9-13-30-15-17/h2-6,10,17-18,25H,7-9,11-15H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyHWIIMKYATPZISH-QGZVFWFLSA-N
XLogP3.48
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(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-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42378611
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
(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
(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26321404
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 42392111) is (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is Cc1c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)[nH]c2ccccc12.
What is the InChIKey of (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is HWIIMKYATPZISH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-19-4-2-3-5-20(19)25-21(16)14-27-11-7-18(8-12-27)28-22(6-10-24-28)26-23(29)17-9-13-30-15-17/h2-6,10,17-18,25H,7-9,11-15H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 42392111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).