N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide

C22H37N5O — CID 164629294

IUPACN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
SMILESCc1c(CN2CCC[C@H](N(CCN3CCCC3)C(=O)C3CCC3)C2)cnn1C
InChIInChI=1S/C22H37N5O/c1-18-20(15-23-24(18)2)16-26-12-6-9-21(17-26)27(22(28)19-7-5-8-19)14-13-25-10-3-4-11-25/h15,19,21H,3-14,16-17H2,1-2H3/t21-/m0/s1
InChIKeyNVZZXJKDRXRJCO-NRFANRHFSA-N
MW387.57 g/mol
LogP2.42
Rot. Bonds7

About N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide

N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide (PubChem CID 164629294) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
PubChem CID164629294
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC NameN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
SMILESCc1c(CN2CCC[C@H](N(CCN3CCCC3)C(=O)C3CCC3)C2)cnn1C
InChIInChI=1S/C22H37N5O/c1-18-20(15-23-24(18)2)16-26-12-6-9-21(17-26)27(22(28)19-7-5-8-19)14-13-25-10-3-4-11-25/h15,19,21H,3-14,16-17H2,1-2H3/t21-/m0/s1
InChIKeyNVZZXJKDRXRJCO-NRFANRHFSA-N
XLogP2.42
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95897717
1-acetyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 110098500
1-[[5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126446187
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 24817625
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632202
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
4-(azepan-1-ylmethyl)-1-methylpyrazole-5-carboxylic acid
CID 117216595
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
CID 81457852
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide (CID 164629294) is N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide is Cc1c(CN2CCC[C@H](N(CCN3CCCC3)C(=O)C3CCC3)C2)cnn1C.
What is the InChIKey of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide?
The InChIKey is NVZZXJKDRXRJCO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H37N5O/c1-18-20(15-23-24(18)2)16-26-12-6-9-21(17-26)27(22(28)19-7-5-8-19)14-13-25-10-3-4-11-25/h15,19,21H,3-14,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide?
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide is sourced from PubChem (CID 164629294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).