(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

C16H28N4O2 — CID 94896765

IUPAC(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CO)CC1
InChIInChI=1S/C16H28N4O2/c1-4-12(2)20-15(5-8-17-20)18-16(22)13(3)19-9-6-14(11-21)7-10-19/h5,8,12-14,21H,4,6-7,9-11H2,1-3H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyPBTITDZAJPTTBR-STQMWFEESA-N
MW308.43 g/mol
LogP1.89
Rot. Bonds6

About (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 94896765) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID94896765
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CO)CC1
InChIInChI=1S/C16H28N4O2/c1-4-12(2)20-15(5-8-17-20)18-16(22)13(3)19-9-6-14(11-21)7-10-19/h5,8,12-14,21H,4,6-7,9-11H2,1-3H3,(H,18,22)/t12-,13-/m0/s1
InChIKeyPBTITDZAJPTTBR-STQMWFEESA-N
XLogP1.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815
(2R)-2-[(3R)-3-acetamidopiperidin-1-yl]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 100837005
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 124742294
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95329138
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
(2S)-2-[[(3S,4R)-1-acetyl-3-methylpiperidin-4-yl]amino]-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]propanamide
CID 97217564
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide (CID 94896765) is (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is CC[C@H](C)n1nccc1NC(=O)[C@H](C)N1CCC(CO)CC1.
What is the InChIKey of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is PBTITDZAJPTTBR-STQMWFEESA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-12(2)20-15(5-8-17-20)18-16(22)13(3)19-9-6-14(11-21)7-10-19/h5,8,12-14,21H,4,6-7,9-11H2,1-3H3,(H,18,22)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide?
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 94896765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).