(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide

C17H24ClN3O2 — CID 124619884

IUPAC(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1
InChIInChI=1S/C17H24ClN3O2/c1-23-13-9-15(19-10-13)17(22)20-12-5-4-8-21(11-12)16-7-3-2-6-14(16)18/h2-3,6-7,12-13,15,19H,4-5,8-11H2,1H3,(H,20,22)/t12-,13+,15-/m1/s1
InChIKeyOJFYKFDENAAAAI-VNHYZAJKSA-N
MW337.85 g/mol
LogP1.80
Rot. Bonds4

About (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide

(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 124619884) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID124619884
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1
InChIInChI=1S/C17H24ClN3O2/c1-23-13-9-15(19-10-13)17(22)20-12-5-4-8-21(11-12)16-7-3-2-6-14(16)18/h2-3,6-7,12-13,15,19H,4-5,8-11H2,1H3,(H,20,22)/t12-,13+,15-/m1/s1
InChIKeyOJFYKFDENAAAAI-VNHYZAJKSA-N
XLogP1.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
(2R,4S)-4-hydroxy-N-[(3S)-1-(4-methylphenyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 125138833
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
3-[1-(2-chlorophenyl)piperidin-3-yl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111507150
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide (CID 124619884) is (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide is CO[C@@H]1CN[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1.
What is the InChIKey of (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is OJFYKFDENAAAAI-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-23-13-9-15(19-10-13)17(22)20-12-5-4-8-21(11-12)16-7-3-2-6-14(16)18/h2-3,6-7,12-13,15,19H,4-5,8-11H2,1H3,(H,20,22)/t12-,13+,15-/m1/s1.
What are the key properties of (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide?
(2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(3R)-1-(2-chlorophenyl)piperidin-3-yl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124619884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).