N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide

C20H30N2O3 — CID 110921212

IUPACN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C20H30N2O3/c23-15-16-8-10-22(11-9-16)14-17-3-1-4-18(13-17)21-20(24)7-6-19-5-2-12-25-19/h1,3-4,13,16,19,23H,2,5-12,14-15H2,(H,21,24)
InChIKeyUSHJDZUCISPZNN-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.79
Rot. Bonds7

About N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 110921212) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID110921212
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C20H30N2O3/c23-15-16-8-10-22(11-9-16)14-17-3-1-4-18(13-17)21-20(24)7-6-19-5-2-12-25-19/h1,3-4,13,16,19,23H,2,5-12,14-15H2,(H,21,24)
InChIKeyUSHJDZUCISPZNN-UHFFFAOYSA-N
XLogP2.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide (CID 110921212) is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1cccc(CN2CCC(CO)CC2)c1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is USHJDZUCISPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-15-16-8-10-22(11-9-16)14-17-3-1-4-18(13-17)21-20(24)7-6-19-5-2-12-25-19/h1,3-4,13,16,19,23H,2,5-12,14-15H2,(H,21,24).
What are the key properties of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide?
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 110921212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).