[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

C23H36N4O2 — CID 118190444

IUPAC[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-18-5-3-11-26(16-18)20-9-13-25(14-10-20)23(28)19-7-8-22(24-15-19)27-12-4-6-21(27)17-29-2/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-,21-/m1/s1
InChIKeyGJTVJIVEYBNOIM-WIYYLYMNSA-N
MW400.57 g/mol
LogP3.03
Rot. Bonds5

About [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone

[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 118190444) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID118190444
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)cn1
InChIInChI=1S/C23H36N4O2/c1-18-5-3-11-26(16-18)20-9-13-25(14-10-20)23(28)19-7-8-22(24-15-19)27-12-4-6-21(27)17-29-2/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-,21-/m1/s1
InChIKeyGJTVJIVEYBNOIM-WIYYLYMNSA-N
XLogP3.03
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 123582810
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
1-[1-[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 75463755
[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56745433
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
6-[(2R)-2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129359535
6-[2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 121201557
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone (CID 118190444) is [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is COC[C@H]1CCCN1c1ccc(C(=O)N2CCC(N3CCC[C@@H](C)C3)CC2)cn1.
What is the InChIKey of [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is GJTVJIVEYBNOIM-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18-5-3-11-26(16-18)20-9-13-25(14-10-20)23(28)19-7-8-22(24-15-19)27-12-4-6-21(27)17-29-2/h7-8,15,18,20-21H,3-6,9-14,16-17H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone?
[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 400.57 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 118190444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).