3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

C21H29N3OS — CID 131932704

IUPAC3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)c1
InChIInChI=1S/C21H29N3OS/c1-2-9-23(8-1)14-19-12-21(26-17-19)15-24-10-5-20(6-11-24)25-16-18-4-3-7-22-13-18/h3-4,7,12-13,17,20H,1-2,5-6,8-11,14-16H2
InChIKeyPVXNRXUYPYEQOV-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.92
Rot. Bonds7

About 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 131932704) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID131932704
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)c1
InChIInChI=1S/C21H29N3OS/c1-2-9-23(8-1)14-19-12-21(26-17-19)15-24-10-5-20(6-11-24)25-16-18-4-3-7-22-13-18/h3-4,7,12-13,17,20H,1-2,5-6,8-11,14-16H2
InChIKeyPVXNRXUYPYEQOV-UHFFFAOYSA-N
XLogP3.92
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
(3S)-3-(pyridin-3-ylmethoxy)-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97394954
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine (CID 131932704) is 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is c1cncc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)c1.
What is the InChIKey of 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is PVXNRXUYPYEQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-2-9-23(8-1)14-19-12-21(26-17-19)15-24-10-5-20(6-11-24)25-16-18-4-3-7-22-13-18/h3-4,7,12-13,17,20H,1-2,5-6,8-11,14-16H2.
What are the key properties of 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 371.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 131932704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).