(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide

C19H28N2O2 — CID 125157377

IUPAC(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCCCO1
InChIInChI=1S/C19H28N2O2/c22-19(18-8-4-5-15-23-18)20-11-14-21-12-9-17(10-13-21)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m1/s1
InChIKeyPNESZLDDOOBXHS-GOSISDBHSA-N
MW316.44 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide

(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide (PubChem CID 125157377) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
PubChem CID125157377
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCCCO1
InChIInChI=1S/C19H28N2O2/c22-19(18-8-4-5-15-23-18)20-11-14-21-12-9-17(10-13-21)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m1/s1
InChIKeyPNESZLDDOOBXHS-GOSISDBHSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide (CID 125157377) is (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide is O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCCCO1.
What is the InChIKey of (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide?
The InChIKey is PNESZLDDOOBXHS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(18-8-4-5-15-23-18)20-11-14-21-12-9-17(10-13-21)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide?
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide is sourced from PubChem (CID 125157377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).