N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

C22H32N4O — CID 97210670

IUPACN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCn1nc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1C
InChIInChI=1S/C22H32N4O/c1-5-26-18(4)21(17(3)24-26)16(2)23-22(27)20-11-9-19(10-12-20)15-25-13-7-6-8-14-25/h9-12,16H,5-8,13-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyRDIUMPKJJUYUAO-MRXNPFEDSA-N
MW368.53 g/mol
LogP4.00
Rot. Bonds6

About N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 97210670) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID97210670
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCn1nc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1C
InChIInChI=1S/C22H32N4O/c1-5-26-18(4)21(17(3)24-26)16(2)23-22(27)20-11-9-19(10-12-20)15-25-13-7-6-8-14-25/h9-12,16H,5-8,13-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyRDIUMPKJJUYUAO-MRXNPFEDSA-N
XLogP4.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25439790
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 95094259
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415071
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 133186501
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 97210670) is N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is CCn1nc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1C.
What is the InChIKey of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is RDIUMPKJJUYUAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N4O/c1-5-26-18(4)21(17(3)24-26)16(2)23-22(27)20-11-9-19(10-12-20)15-25-13-7-6-8-14-25/h9-12,16H,5-8,13-15H2,1-4H3,(H,23,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 368.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 97210670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).