N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide

C15H28N2O2 — CID 122555981

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
SMILESCC1(CCC(=O)NCCN2CCC(CO)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(6-7-15)5-2-14(19)16-8-11-17-9-3-13(12-18)4-10-17/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyHUPRZUMAFUTBHA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide (PubChem CID 122555981) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
PubChem CID122555981
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide
SMILESCC1(CCC(=O)NCCN2CCC(CO)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(6-7-15)5-2-14(19)16-8-11-17-9-3-13(12-18)4-10-17/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyHUPRZUMAFUTBHA-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide (CID 122555981) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide is CC1(CCC(=O)NCCN2CCC(CO)CC2)CC1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide?
The InChIKey is HUPRZUMAFUTBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(6-7-15)5-2-14(19)16-8-11-17-9-3-13(12-18)4-10-17/h13,18H,2-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylcyclopropyl)propanamide is sourced from PubChem (CID 122555981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).