1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine

C23H39N3OS — CID 45205988

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC(C)c1csc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)n1
InChIInChI=1S/C23H39N3OS/c1-18(2)22-17-28-23(24-22)16-25(15-21-8-5-13-27-21)14-19-9-11-26(12-10-19)20-6-3-4-7-20/h17-21H,3-16H2,1-2H3
InChIKeyBKDWTXQBKIJCLZ-UHFFFAOYSA-N
MW405.65 g/mol
LogP4.90
Rot. Bonds8

About 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 45205988) has the molecular formula C23H39N3OS and a molecular weight of 405.65 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID45205988
Molecular FormulaC23H39N3OS
Molecular Weight405.65 g/mol
Exact Mass405.28
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCC(C)c1csc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)n1
InChIInChI=1S/C23H39N3OS/c1-18(2)22-17-28-23(24-22)16-25(15-21-8-5-13-27-21)14-19-9-11-26(12-10-19)20-6-3-4-7-20/h17-21H,3-16H2,1-2H3
InChIKeyBKDWTXQBKIJCLZ-UHFFFAOYSA-N
XLogP4.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.65
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(Oxolan-2-ylmethyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53528717
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
(2S,3aS,7aS)-2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369456
1-cyclopentyl-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100643750
3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 71923575
9-[2-(2-Methyl-1,3-thiazol-4-YL)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 91838195
3-(4-cyclopentyl-1,3-thiazol-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 127371498
4-{1-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-3-piperidinyl}morpholine
CID 45169420
3-(4-butan-2-yl-1,3-thiazol-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 71857044
N-[[(3R,3aS,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-N-methylpropan-2-amine
CID 134689091
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 29026332
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 29026335

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine (CID 45205988) is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine is CC(C)c1csc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)n1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is BKDWTXQBKIJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3OS/c1-18(2)22-17-28-23(24-22)16-25(15-21-8-5-13-27-21)14-19-9-11-26(12-10-19)20-6-3-4-7-20/h17-21H,3-16H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 405.65 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 45205988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).