(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide

C21H30N4O2S — CID 68968829

IUPAC(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide
SMILESCCOc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CC(N)=O)CC2)cn1
InChIInChI=1S/C21H30N4O2S/c1-3-27-21-5-4-19(13-23-21)25(14-17-8-11-28-15-17)18-6-9-24(10-7-18)16(2)12-20(22)26/h4-5,8,11,13,15-16,18H,3,6-7,9-10,12,14H2,1-2H3,(H2,22,26)/t16-/m1/s1
InChIKeySBGDAFFBAPICGQ-MRXNPFEDSA-N
MW402.56 g/mol
LogP3.28
Rot. Bonds9

About (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide

(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide (PubChem CID 68968829) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide
PubChem CID68968829
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide
SMILESCCOc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CC(N)=O)CC2)cn1
InChIInChI=1S/C21H30N4O2S/c1-3-27-21-5-4-19(13-23-21)25(14-17-8-11-28-15-17)18-6-9-24(10-7-18)16(2)12-20(22)26/h4-5,8,11,13,15-16,18H,3,6-7,9-10,12,14H2,1-2H3,(H2,22,26)/t16-/m1/s1
InChIKeySBGDAFFBAPICGQ-MRXNPFEDSA-N
XLogP3.28
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide with MolForge

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Related Compounds

2-[4-[[1-[(2R)-4-aminobutan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]phenoxy]acetamide
CID 68974012
4-[[1-(4-aminobutan-2-yl)piperidin-4-yl]-(thiophen-3-ylmethyl)amino]benzamide
CID 68970752
1-[(3R)-3-aminobutyl]-N-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
CID 69104364
3,5-dichloro-N-[3-[4-[4-methoxy-N-(thiophen-3-ylmethyl)anilino]piperidin-1-yl]butyl]pyridine-4-carboxamide
CID 68971925
methyl 4-[[1-[4-[(4,6-dimethylpyrimidine-5-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]benzoate
CID 76566952
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 61434320
4-[[1-(4-amino-4-oxobutan-2-yl)piperidin-4-yl]-[(3-cyanophenyl)methyl]amino]-N,N-dimethylbenzamide
CID 68971770
2-amino-5-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61438876
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
CID 68774007
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 68774075
3-[4-[N-[(3-cyanophenyl)methyl]-4-(piperazine-1-carbonyl)anilino]piperidin-1-yl]butanamide
CID 68969000

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide?
The IUPAC name of (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide (CID 68968829) is (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide.
What is the SMILES notation for (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide?
The canonical SMILES for (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide is CCOc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CC(N)=O)CC2)cn1.
What is the InChIKey of (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide?
The InChIKey is SBGDAFFBAPICGQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-3-27-21-5-4-19(13-23-21)25(14-17-8-11-28-15-17)18-6-9-24(10-7-18)16(2)12-20(22)26/h4-5,8,11,13,15-16,18H,3,6-7,9-10,12,14H2,1-2H3,(H2,22,26)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide?
(3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide has a molecular weight of 402.56 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(6-ethoxy-3-pyridinyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butanamide is sourced from PubChem (CID 68968829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).