(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide

C19H30N2O2 — CID 95626437

IUPAC(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-3-23-15-17-8-7-13-21(14-17)19(22)20-12-11-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17H,3,7-8,11-15H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyWBDBYFBNMKGTKQ-DLBZAZTESA-N
MW318.46 g/mol
LogP3.64
Rot. Bonds7

About (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide

(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide (PubChem CID 95626437) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
PubChem CID95626437
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
SMILESCCOC[C@@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H30N2O2/c1-3-23-15-17-8-7-13-21(14-17)19(22)20-12-11-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17H,3,7-8,11-15H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyWBDBYFBNMKGTKQ-DLBZAZTESA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
4-phenyl-N-(3-phenylbutyl)-1,4-diazepane-1-carboxamide
CID 86876623
ethyl 1-[N'-methyl-N-(3-phenylbutyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993561
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 97316982
N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94816549
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide (CID 95626437) is (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide is CCOC[C@@H]1CCCN(C(=O)NCC[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide?
The InChIKey is WBDBYFBNMKGTKQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-23-15-17-8-7-13-21(14-17)19(22)20-12-11-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17H,3,7-8,11-15H2,1-2H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide?
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide is sourced from PubChem (CID 95626437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).