N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide

C25H31N5O2 — CID 172658826

IUPACN-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N[C@@]1(c2ccccc2)CCN(Cc2ccc3cn[nH]c3c2)C[C@H]1O
InChIInChI=1S/C25H31N5O2/c31-23-17-30(16-19-8-9-20-15-26-28-22(20)14-19)13-10-25(23,21-6-2-1-3-7-21)27-24(32)18-29-11-4-5-12-29/h1-3,6-9,14-15,23,31H,4-5,10-13,16-18H2,(H,26,28)(H,27,32)/t23-,25-/m1/s1
InChIKeyJQZRXWROYMJNBC-ILBGXUMGSA-N
MW433.56 g/mol
LogP2.24
Rot. Bonds6

About N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide

N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 172658826) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID172658826
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N[C@@]1(c2ccccc2)CCN(Cc2ccc3cn[nH]c3c2)C[C@H]1O
InChIInChI=1S/C25H31N5O2/c31-23-17-30(16-19-8-9-20-15-26-28-22(20)14-19)13-10-25(23,21-6-2-1-3-7-21)27-24(32)18-29-11-4-5-12-29/h1-3,6-9,14-15,23,31H,4-5,10-13,16-18H2,(H,26,28)(H,27,32)/t23-,25-/m1/s1
InChIKeyJQZRXWROYMJNBC-ILBGXUMGSA-N
XLogP2.24
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 136519416
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
acetic acid;N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 171330415
N-[(3R,4S)-3-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-2-pyridin-4-ylacetamide
CID 171908154
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643842
4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
CID 126772127
N-[(3R,4S)-1-(1,3-dioxolan-2-ylmethyl)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 171913153
4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide (CID 172658826) is N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)N[C@@]1(c2ccccc2)CCN(Cc2ccc3cn[nH]c3c2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is JQZRXWROYMJNBC-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-23-17-30(16-19-8-9-20-15-26-28-22(20)14-19)13-10-25(23,21-6-2-1-3-7-21)27-24(32)18-29-11-4-5-12-29/h1-3,6-9,14-15,23,31H,4-5,10-13,16-18H2,(H,26,28)(H,27,32)/t23-,25-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide?
N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 433.56 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(1H-indazol-6-ylmethyl)-4-phenylpiperidin-4-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 172658826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).