N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide

C19H31N3O2 — CID 111431834

IUPACN-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
SMILESCCN(CCO)C(C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-22(13-14-23)16(2)19(24)20-18-9-11-21(12-10-18)15-17-7-5-4-6-8-17/h4-8,16,18,23H,3,9-15H2,1-2H3,(H,20,24)
InChIKeyDNPPNMORHFOQAL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.47
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide

N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide (PubChem CID 111431834) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
PubChem CID111431834
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
SMILESCCN(CCO)C(C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-22(13-14-23)16(2)19(24)20-18-9-11-21(12-10-18)15-17-7-5-4-6-8-17/h4-8,16,18,23H,3,9-15H2,1-2H3,(H,20,24)
InChIKeyDNPPNMORHFOQAL-UHFFFAOYSA-N
XLogP1.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
CID 56818396
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 110986864
3-(1-benzylpyrrolidin-3-yl)-1-butan-2-yl-1-(2-hydroxyethyl)urea
CID 126841266
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
CID 98791947
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171
3-(1-benzylpiperidin-4-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
CID 111123648
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide (CID 111431834) is N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide is CCN(CCO)C(C)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is DNPPNMORHFOQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-22(13-14-23)16(2)19(24)20-18-9-11-21(12-10-18)15-17-7-5-4-6-8-17/h4-8,16,18,23H,3,9-15H2,1-2H3,(H,20,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide?
N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 111431834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).