N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide

C19H29N3OS — CID 126453520

IUPACN-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(CCc2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C19H29N3OS/c23-19(22-11-13-24-14-12-22)20-15-18-7-4-9-21(16-18)10-8-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23)/t18-/m1/s1
InChIKeyHWCFMFCEMFVDLQ-GOSISDBHSA-N
MW347.53 g/mol
LogP2.70
Rot. Bonds5

About N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide

N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide (PubChem CID 126453520) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
PubChem CID126453520
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(CCc2ccccc2)C1)N1CCSCC1
InChIInChI=1S/C19H29N3OS/c23-19(22-11-13-24-14-12-22)20-15-18-7-4-9-21(16-18)10-8-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23)/t18-/m1/s1
InChIKeyHWCFMFCEMFVDLQ-GOSISDBHSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126427116
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
(4S)-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4H-1,3-benzodioxine-4-carboxamide
CID 51709316
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide (CID 126453520) is N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide is O=C(NC[C@H]1CCCN(CCc2ccccc2)C1)N1CCSCC1.
What is the InChIKey of N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide?
The InChIKey is HWCFMFCEMFVDLQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3OS/c23-19(22-11-13-24-14-12-22)20-15-18-7-4-9-21(16-18)10-8-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide?
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 126453520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).