2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C13H20N4O — CID 81407274

IUPAC2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1)c1ccccn1
InChIInChI=1S/C13H20N4O/c1-11(12-4-2-3-5-15-12)16-13(18)10-17-8-6-14-7-9-17/h2-5,11,14H,6-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyCCVOAALSPPRAOO-LLVKDONJSA-N
MW248.33 g/mol
LogP0.16
Rot. Bonds4

About 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 81407274) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID81407274
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1)c1ccccn1
InChIInChI=1S/C13H20N4O/c1-11(12-4-2-3-5-15-12)16-13(18)10-17-8-6-14-7-9-17/h2-5,11,14H,6-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyCCVOAALSPPRAOO-LLVKDONJSA-N
XLogP0.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 81407274) is 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide is C[C@@H](NC(=O)CN1CCNCC1)c1ccccn1.
What is the InChIKey of 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is CCVOAALSPPRAOO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(12-4-2-3-5-15-12)16-13(18)10-17-8-6-14-7-9-17/h2-5,11,14H,6-10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 81407274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).