N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide

C23H39N3OS — CID 68774007

IUPACN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H39N3OS/c1-19(9-13-24)25-14-10-22(11-15-25)26(17-21-12-16-28-18-21)23(27)8-7-20-5-3-2-4-6-20/h12,16,18-20,22H,2-11,13-15,17,24H2,1H3
InChIKeyMMCFYOQCSASMRV-UHFFFAOYSA-N
MW405.65 g/mol
LogP4.64
Rot. Bonds9

About N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 68774007) has the molecular formula C23H39N3OS and a molecular weight of 405.65 g/mol. Its IUPAC name is N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID68774007
Molecular FormulaC23H39N3OS
Molecular Weight405.65 g/mol
Exact Mass405.28
IUPAC NameN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H39N3OS/c1-19(9-13-24)25-14-10-22(11-15-25)26(17-21-12-16-28-18-21)23(27)8-7-20-5-3-2-4-6-20/h12,16,18-20,22H,2-11,13-15,17,24H2,1H3
InChIKeyMMCFYOQCSASMRV-UHFFFAOYSA-N
XLogP4.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide with MolForge

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Related Compounds

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 68774075
4-[[1-(4-aminobutan-2-yl)piperidin-4-yl]-(thiophen-3-ylmethyl)amino]benzamide
CID 68970752
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
2-[4-[[1-[(2R)-4-aminobutan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]phenoxy]acetamide
CID 68974012
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-2-pyridin-4-ylsulfanyl-N-(thiophen-3-ylmethyl)ethanethioamide
CID 87569578
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 71743675
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126434964
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
1-[1-[(2R)-6-(2,6-dichloro-4-methyl-3-pyridinyl)-6-oxohexan-2-yl]piperidin-4-yl]-1-(thiophen-3-ylmethyl)urea
CID 59590696
2-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 15941801
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide (CID 68774007) is N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide is CC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is MMCFYOQCSASMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3OS/c1-19(9-13-24)25-14-10-22(11-15-25)26(17-21-12-16-28-18-21)23(27)8-7-20-5-3-2-4-6-20/h12,16,18-20,22H,2-11,13-15,17,24H2,1H3.
What are the key properties of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide?
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 405.65 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 68774007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).