(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

C22H33N5O — CID 124684329

IUPAC(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CNCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1C
InChIInChI=1S/C22H33N5O/c1-4-27-17(3)21(16(2)25-27)13-24-12-18-7-5-8-19(11-18)14-26-10-6-9-20(15-26)22(23)28/h5,7-8,11,20,24H,4,6,9-10,12-15H2,1-3H3,(H2,23,28)/t20-/m0/s1
InChIKeyJPQXQPPSYLEDRU-FQEVSTJZSA-N
MW383.54 g/mol
LogP2.51
Rot. Bonds8

About (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 124684329) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID124684329
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCn1nc(C)c(CNCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1C
InChIInChI=1S/C22H33N5O/c1-4-27-17(3)21(16(2)25-27)13-24-12-18-7-5-8-19(11-18)14-26-10-6-9-20(15-26)22(23)28/h5,7-8,11,20,24H,4,6,9-10,12-15H2,1-3H3,(H2,23,28)/t20-/m0/s1
InChIKeyJPQXQPPSYLEDRU-FQEVSTJZSA-N
XLogP2.51
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide 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

(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
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
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
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
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 124684329) is (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is CCn1nc(C)c(CNCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1C.
What is the InChIKey of (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is JPQXQPPSYLEDRU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-27-17(3)21(16(2)25-27)13-24-12-18-7-5-8-19(11-18)14-26-10-6-9-20(15-26)22(23)28/h5,7-8,11,20,24H,4,6,9-10,12-15H2,1-3H3,(H2,23,28)/t20-/m0/s1.
What are the key properties of (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124684329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).