(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

C20H27N3OS — CID 124552718

IUPAC(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccsc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C20H27N3OS/c1-15-7-9-25-19(15)12-22-11-16-4-2-5-17(10-16)13-23-8-3-6-18(14-23)20(21)24/h2,4-5,7,9-10,18,22H,3,6,8,11-14H2,1H3,(H2,21,24)/t18-/m1/s1
InChIKeyNBPOGAJZSMAZHQ-GOSISDBHSA-N
MW357.52 g/mol
LogP3.04
Rot. Bonds7

About (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 124552718) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID124552718
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1ccsc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1
InChIInChI=1S/C20H27N3OS/c1-15-7-9-25-19(15)12-22-11-16-4-2-5-17(10-16)13-23-8-3-6-18(14-23)20(21)24/h2,4-5,7,9-10,18,22H,3,6,8,11-14H2,1H3,(H2,21,24)/t18-/m1/s1
InChIKeyNBPOGAJZSMAZHQ-GOSISDBHSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 124552718) is (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is Cc1ccsc1CNCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1.
What is the InChIKey of (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NBPOGAJZSMAZHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-7-9-25-19(15)12-22-11-16-4-2-5-17(10-16)13-23-8-3-6-18(14-23)20(21)24/h2,4-5,7,9-10,18,22H,3,6,8,11-14H2,1H3,(H2,21,24)/t18-/m1/s1.
What are the key properties of (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).