2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

C16H24N6O2 — CID 78833853

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N6O2/c1-12(15(24)20-16-17-5-2-6-18-16)22-9-7-21(8-10-22)11-14(23)19-13-3-4-13/h2,5-6,12-13H,3-4,7-11H2,1H3,(H,19,23)(H,17,18,20,24)
InChIKeyMPIZQPGYUOTTBF-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.30
Rot. Bonds6

About 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 78833853) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID78833853
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCC(C(=O)Nc1ncccn1)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N6O2/c1-12(15(24)20-16-17-5-2-6-18-16)22-9-7-21(8-10-22)11-14(23)19-13-3-4-13/h2,5-6,12-13H,3-4,7-11H2,1H3,(H,19,23)(H,17,18,20,24)
InChIKeyMPIZQPGYUOTTBF-UHFFFAOYSA-N
XLogP-0.30
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2S)-N-(4-bromophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30998316
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 30740405
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 30736100
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 45281448
(2S)-N-pyrimidin-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 95292469
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 78833853) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is CC(C(=O)Nc1ncccn1)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is MPIZQPGYUOTTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(15(24)20-16-17-5-2-6-18-16)22-9-7-21(8-10-22)11-14(23)19-13-3-4-13/h2,5-6,12-13H,3-4,7-11H2,1H3,(H,19,23)(H,17,18,20,24).
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 332.41 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 78833853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).