N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

C12H24N4O2 — CID 55256660

IUPACN-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C12H24N4O2/c1-8(14-3)10-4-6-16(7-5-10)9(2)11(17)15-12(13)18/h8-10,14H,4-7H2,1-3H3,(H3,13,15,17,18)
InChIKeyHXDVZCFTZLQCDJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.11
Rot. Bonds4

About N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 55256660) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID55256660
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCNC(C)C1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C12H24N4O2/c1-8(14-3)10-4-6-16(7-5-10)9(2)11(17)15-12(13)18/h8-10,14H,4-7H2,1-3H3,(H3,13,15,17,18)
InChIKeyHXDVZCFTZLQCDJ-UHFFFAOYSA-N
XLogP-0.11
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (CID 55256660) is N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is CNC(C)C1CCN(C(C)C(=O)NC(N)=O)CC1.
What is the InChIKey of N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is HXDVZCFTZLQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(14-3)10-4-6-16(7-5-10)9(2)11(17)15-12(13)18/h8-10,14H,4-7H2,1-3H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 256.35 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 55256660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).