(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C18H23FN4O2 — CID 124569986

IUPAC(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)Nc3cccc(OCCF)c3)C2)c1
InChIInChI=1S/C18H23FN4O2/c1-14-11-20-23(12-14)16-5-3-8-22(13-16)18(24)21-15-4-2-6-17(10-15)25-9-7-19/h2,4,6,10-12,16H,3,5,7-9,13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyPGLRXPABUBDWCH-MRXNPFEDSA-N
MW346.41 g/mol
LogP3.41
Rot. Bonds5

About (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 124569986) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID124569986
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)Nc3cccc(OCCF)c3)C2)c1
InChIInChI=1S/C18H23FN4O2/c1-14-11-20-23(12-14)16-5-3-8-22(13-16)18(24)21-15-4-2-6-17(10-15)25-9-7-19/h2,4,6,10-12,16H,3,5,7-9,13H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyPGLRXPABUBDWCH-MRXNPFEDSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95280540
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 126772873
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 124569986) is (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn([C@@H]2CCCN(C(=O)Nc3cccc(OCCF)c3)C2)c1.
What is the InChIKey of (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is PGLRXPABUBDWCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-14-11-20-23(12-14)16-5-3-8-22(13-16)18(24)21-15-4-2-6-17(10-15)25-9-7-19/h2,4,6,10-12,16H,3,5,7-9,13H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124569986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).