2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide

C16H32N4O — CID 63925394

IUPAC2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN(C)C1CCCN(C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-12(2)18-16(15(17)21,13-7-8-13)11-20(4)14-6-5-9-19(3)10-14/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeyQYILCMROVJOXRJ-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.64
Rot. Bonds7

About 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide (PubChem CID 63925394) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
PubChem CID63925394
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(CN(C)C1CCCN(C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-12(2)18-16(15(17)21,13-7-8-13)11-20(4)14-6-5-9-19(3)10-14/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeyQYILCMROVJOXRJ-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.64
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)propanamide
CID 63908270
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)propanamide
CID 63909325
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
CID 79480286
2-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-(propan-2-ylamino)propanoic acid
CID 63909944

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide (CID 63925394) is 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide is CC(C)NC(CN(C)C1CCCN(C)C1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide?
The InChIKey is QYILCMROVJOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-12(2)18-16(15(17)21,13-7-8-13)11-20(4)14-6-5-9-19(3)10-14/h12-14,18H,5-11H2,1-4H3,(H2,17,21).
What are the key properties of 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide has a molecular weight of 296.46 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63925394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).