2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide

C16H30N4O — CID 63926418

IUPAC2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
SMILESCNC(CN1CCC(N2CCCCC2)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H30N4O/c1-18-16(15(17)21,13-5-6-13)12-19-10-7-14(11-19)20-8-3-2-4-9-20/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyIFXVMBOLYMUQQS-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.40
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide

2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide (PubChem CID 63926418) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
PubChem CID63926418
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
SMILESCNC(CN1CCC(N2CCCCC2)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H30N4O/c1-18-16(15(17)21,13-5-6-13)12-19-10-7-14(11-19)20-8-3-2-4-9-20/h13-14,18H,2-12H2,1H3,(H2,17,21)
InChIKeyIFXVMBOLYMUQQS-UHFFFAOYSA-N
XLogP0.40
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 79932429
ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
CID 79931961
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
2-amino-2-cyclopropyl-3-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 63909753
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylpropanamide
CID 79935160
2-cyclopropyl-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propanamide
CID 63926002
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 55159335
2-cyclopropyl-3-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 113418666
N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 66453022
2-cyclopropyl-2-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)propanamide
CID 63907004

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide (CID 63926418) is 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide is CNC(CN1CCC(N2CCCCC2)C1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide?
The InChIKey is IFXVMBOLYMUQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-18-16(15(17)21,13-5-6-13)12-19-10-7-14(11-19)20-8-3-2-4-9-20/h13-14,18H,2-12H2,1H3,(H2,17,21).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide?
2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide has a molecular weight of 294.44 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 63926418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).