2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide

C14H28N4O — CID 63908270

IUPAC2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN1CCN(C)CC1)(C(N)=O)C1CC1
InChIInChI=1S/C14H28N4O/c1-11(2)16-14(13(15)19,12-4-5-12)10-18-8-6-17(3)7-9-18/h11-12,16H,4-10H2,1-3H3,(H2,15,19)
InChIKeyJSFIKPOPPJKRRT-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.13
Rot. Bonds6

About 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide (PubChem CID 63908270) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
PubChem CID63908270
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN1CCN(C)CC1)(C(N)=O)C1CC1
InChIInChI=1S/C14H28N4O/c1-11(2)16-14(13(15)19,12-4-5-12)10-18-8-6-17(3)7-9-18/h11-12,16H,4-10H2,1-3H3,(H2,15,19)
InChIKeyJSFIKPOPPJKRRT-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 63907433
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63927047
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 63911898
2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
CID 63925394
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-methylpiperazin-1-yl)propanoate
CID 63907855
2-cyclopropyl-3-(2,5-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)propanamide
CID 63910510
methyl 2-cyclopropyl-3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63926632
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004
2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide (CID 63908270) is 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide is CC(C)NC(CN1CCN(C)CC1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide?
The InChIKey is JSFIKPOPPJKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)16-14(13(15)19,12-4-5-12)10-18-8-6-17(3)7-9-18/h11-12,16H,4-10H2,1-3H3,(H2,15,19).
What are the key properties of 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide has a molecular weight of 268.40 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63908270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).