4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide

C20H28N4O — CID 95726413

IUPAC4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
SMILESCCCn1cc(CNC(=O)c2ccc(C[C@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-2-10-24-15-18(14-23-24)13-22-20(25)19-7-5-16(6-8-19)11-17-4-3-9-21-12-17/h5-8,14-15,17,21H,2-4,9-13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyTWXRQDJCKHAOQR-QGZVFWFLSA-N
MW340.47 g/mol
LogP2.77
Rot. Bonds7

About 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide

4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide (PubChem CID 95726413) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
PubChem CID95726413
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
SMILESCCCn1cc(CNC(=O)c2ccc(C[C@H]3CCCNC3)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-2-10-24-15-18(14-23-24)13-22-20(25)19-7-5-16(6-8-19)11-17-4-3-9-21-12-17/h5-8,14-15,17,21H,2-4,9-13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyTWXRQDJCKHAOQR-QGZVFWFLSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
CID 56900934
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95723937
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
CID 110102127
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171706977

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide (CID 95726413) is 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide is CCCn1cc(CNC(=O)c2ccc(C[C@H]3CCCNC3)cc2)cn1.
What is the InChIKey of 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
The InChIKey is TWXRQDJCKHAOQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-10-24-15-18(14-23-24)13-22-20(25)19-7-5-16(6-8-19)11-17-4-3-9-21-12-17/h5-8,14-15,17,21H,2-4,9-13H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide?
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 95726413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).