N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide

C13H23N3O2 — CID 55049712

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c17-12(4-1-10-5-7-14-8-6-10)15-9-13(18)16-11-2-3-11/h10-11,14H,1-9H2,(H,15,17)(H,16,18)
InChIKeyPSJXCEXIUQJCSL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.16
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide (PubChem CID 55049712) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
PubChem CID55049712
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c17-12(4-1-10-5-7-14-8-6-10)15-9-13(18)16-11-2-3-11/h10-11,14H,1-9H2,(H,15,17)(H,16,18)
InChIKeyPSJXCEXIUQJCSL-UHFFFAOYSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
N-(3-methylcyclobutyl)-3-piperidin-4-ylpropanamide
CID 115870640
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-cyclopropyl-2-[(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63875672
N-[2-(cyclopropylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107023146
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 43568420
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
3-cyclopentyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554749
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
N-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-4-ylpropanamide
CID 107842716

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide (CID 55049712) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is PSJXCEXIUQJCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12(4-1-10-5-7-14-8-6-10)15-9-13(18)16-11-2-3-11/h10-11,14H,1-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 55049712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).