N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide

C17H25N5O2S — CID 118792062

IUPACN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
SMILESCc1nc(CN2CC[C@@H](NC(=O)CCCn3cccn3)[C@H](O)C2)cs1
InChIInChI=1S/C17H25N5O2S/c1-13-19-14(12-25-13)10-21-9-5-15(16(23)11-21)20-17(24)4-2-7-22-8-3-6-18-22/h3,6,8,12,15-16,23H,2,4-5,7,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyKOVOOAPDAUBETF-HZPDHXFCSA-N
MW363.49 g/mol
LogP1.18
Rot. Bonds7

About N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide

N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide (PubChem CID 118792062) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
PubChem CID118792062
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide
SMILESCc1nc(CN2CC[C@@H](NC(=O)CCCn3cccn3)[C@H](O)C2)cs1
InChIInChI=1S/C17H25N5O2S/c1-13-19-14(12-25-13)10-21-9-5-15(16(23)11-21)20-17(24)4-2-7-22-8-3-6-18-22/h3,6,8,12,15-16,23H,2,4-5,7,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyKOVOOAPDAUBETF-HZPDHXFCSA-N
XLogP1.18
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 121496147
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-pyrazol-1-ylbutanamide
CID 94810560
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyridine-2-carboxamide
CID 118786159
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 118790063
2-amino-N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidine-4-carboxamide
CID 164639029
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838
4-chloro-N-[(3R,4S)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 146041162
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976348

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide (CID 118792062) is N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide is Cc1nc(CN2CC[C@@H](NC(=O)CCCn3cccn3)[C@H](O)C2)cs1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide?
The InChIKey is KOVOOAPDAUBETF-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-13-19-14(12-25-13)10-21-9-5-15(16(23)11-21)20-17(24)4-2-7-22-8-3-6-18-22/h3,6,8,12,15-16,23H,2,4-5,7,9-11H2,1H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide?
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide has a molecular weight of 363.49 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 118792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).