N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C20H31N3O2 — CID 74239780

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H31N3O2/c24-16-18-4-3-12-23(15-18)13-9-21-20(25)19-7-5-17(6-8-19)14-22-10-1-2-11-22/h5-8,18,24H,1-4,9-16H2,(H,21,25)
InChIKeyREIVKDPITMPNLT-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 74239780) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID74239780
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NCCN1CCCC(CO)C1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H31N3O2/c24-16-18-4-3-12-23(15-18)13-9-21-20(25)19-7-5-17(6-8-19)14-22-10-1-2-11-22/h5-8,18,24H,1-4,9-16H2,(H,21,25)
InChIKeyREIVKDPITMPNLT-UHFFFAOYSA-N
XLogP1.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796
1-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
CID 125159394
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 74239780) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(NCCN1CCCC(CO)C1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is REIVKDPITMPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-16-18-4-3-12-23(15-18)13-9-21-20(25)19-7-5-17(6-8-19)14-22-10-1-2-11-22/h5-8,18,24H,1-4,9-16H2,(H,21,25).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 345.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 74239780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).