N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide

C16H25N5O3 — CID 110127693

IUPACN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide
SMILESO=C1CN([C@@H]2CC[C@@H](NC(=O)CCCn3cccn3)[C@H]2O)CCN1
InChIInChI=1S/C16H25N5O3/c22-14(3-1-8-21-9-2-6-18-21)19-12-4-5-13(16(12)24)20-10-7-17-15(23)11-20/h2,6,9,12-13,16,24H,1,3-5,7-8,10-11H2,(H,17,23)(H,19,22)/t12-,13-,16-/m1/s1
InChIKeyGCAUNOHDSCZPFG-XJKCOSOUSA-N
MW335.41 g/mol
LogP-0.90
Rot. Bonds6

About N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide

N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide (PubChem CID 110127693) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide
PubChem CID110127693
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide
SMILESO=C1CN([C@@H]2CC[C@@H](NC(=O)CCCn3cccn3)[C@H]2O)CCN1
InChIInChI=1S/C16H25N5O3/c22-14(3-1-8-21-9-2-6-18-21)19-12-4-5-13(16(12)24)20-10-7-17-15(23)11-20/h2,6,9,12-13,16,24H,1,3-5,7-8,10-11H2,(H,17,23)(H,19,22)/t12-,13-,16-/m1/s1
InChIKeyGCAUNOHDSCZPFG-XJKCOSOUSA-N
XLogP-0.90
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide (CID 110127693) is N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide is O=C1CN([C@@H]2CC[C@@H](NC(=O)CCCn3cccn3)[C@H]2O)CCN1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is GCAUNOHDSCZPFG-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H25N5O3/c22-14(3-1-8-21-9-2-6-18-21)19-12-4-5-13(16(12)24)20-10-7-17-15(23)11-20/h2,6,9,12-13,16,24H,1,3-5,7-8,10-11H2,(H,17,23)(H,19,22)/t12-,13-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide?
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 335.41 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 110127693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).