N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide

C13H26N4O2 — CID 61499941

IUPACN-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CN1CCCCC1
InChIInChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-11(2)12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19)
InChIKeyWRPWQJAADSYFDX-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.29
Rot. Bonds5

About N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide

N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide (PubChem CID 61499941) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
PubChem CID61499941
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CN1CCCCC1
InChIInChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-11(2)12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19)
InChIKeyWRPWQJAADSYFDX-UHFFFAOYSA-N
XLogP0.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide (CID 61499941) is N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide is CNC(=O)NC(=O)C(C)NC(C)CN1CCCCC1.
What is the InChIKey of N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide?
The InChIKey is WRPWQJAADSYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(9-17-7-5-4-6-8-17)15-11(2)12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19).
What are the key properties of N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide?
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide has a molecular weight of 270.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 61499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).