(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C18H26N6O2 — CID 97273868

IUPAC(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H26N6O2/c25-18(19-14-4-5-16-17(13-14)21-22-20-16)24-7-2-1-3-15(24)6-8-23-9-11-26-12-10-23/h4-5,13,15H,1-3,6-12H2,(H,19,25)(H,20,21,22)/t15-/m1/s1
InChIKeyPVSKWECEQVPBLN-OAHLLOKOSA-N
MW358.45 g/mol
LogP2.07
Rot. Bonds4

About (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 97273868) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
PubChem CID97273868
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H26N6O2/c25-18(19-14-4-5-16-17(13-14)21-22-20-16)24-7-2-1-3-15(24)6-8-23-9-11-26-12-10-23/h4-5,13,15H,1-3,6-12H2,(H,19,25)(H,20,21,22)/t15-/m1/s1
InChIKeyPVSKWECEQVPBLN-OAHLLOKOSA-N
XLogP2.07
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
2-(2-morpholin-4-ylethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72897752
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 74244699
N-(4-chlorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carbothioamide
CID 134113677
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2R)-N-(2,3-dimethylquinoxalin-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125162811
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 97273868) is (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@@H]1CCN1CCOCC1.
What is the InChIKey of (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is PVSKWECEQVPBLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O2/c25-18(19-14-4-5-16-17(13-14)21-22-20-16)24-7-2-1-3-15(24)6-8-23-9-11-26-12-10-23/h4-5,13,15H,1-3,6-12H2,(H,19,25)(H,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
(2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2H-benzotriazol-5-yl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97273868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).