N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H24N4O2 — CID 70780718

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)18(3)17-9)4-5-14(20)16-12-6-7-15-8-13(12)19/h12-13,15,19H,4-8H2,1-3H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyJLSOXFFHKYDMPV-CHWSQXEVSA-N
MW280.37 g/mol
LogP-0.19
Rot. Bonds4

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 70780718) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID70780718
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)18(3)17-9)4-5-14(20)16-12-6-7-15-8-13(12)19/h12-13,15,19H,4-8H2,1-3H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyJLSOXFFHKYDMPV-CHWSQXEVSA-N
XLogP-0.19
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(1,3,5-Trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
CID 56808467
N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]propanamide
CID 70767331
(3S*,4S*)-4-methyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3,4-diol
CID 72837276
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47136397
N-(2-oxo-3-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 47478485
(3R*,4R*)-4-amino-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-ol
CID 70772202
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamide
CID 70781453
N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71847165
1-[1-(1,3,5-Trimethylpyrazol-4-yl)propylamino]butan-2-ol
CID 91660440
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 70780718) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JLSOXFFHKYDMPV-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-11(10(2)18(3)17-9)4-5-14(20)16-12-6-7-15-8-13(12)19/h12-13,15,19H,4-8H2,1-3H3,(H,16,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 70780718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).