1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

C18H24ClN3O3 — CID 122003462

IUPAC1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCCN(c3ccccc3Cl)C2)C1
InChIInChI=1S/C18H24ClN3O3/c19-15-7-1-2-8-16(15)21-9-4-6-14(12-21)20-18(25)22-10-3-5-13(11-22)17(23)24/h1-2,7-8,13-14H,3-6,9-12H2,(H,20,25)(H,23,24)
InChIKeySMSBLNIISXSDOJ-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.82
Rot. Bonds3

About 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122003462) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122003462
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCCN(c3ccccc3Cl)C2)C1
InChIInChI=1S/C18H24ClN3O3/c19-15-7-1-2-8-16(15)21-9-4-6-14(12-21)20-18(25)22-10-3-5-13(11-22)17(23)24/h1-2,7-8,13-14H,3-6,9-12H2,(H,20,25)(H,23,24)
InChIKeySMSBLNIISXSDOJ-UHFFFAOYSA-N
XLogP2.82
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009300
2-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]-2-phenylacetamide
CID 119882522
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
4-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]butanamide
CID 119882578
N-[4-[[(3R)-1-(2-chlorophenyl)piperidin-3-yl]amino]cyclohexyl]acetamide
CID 99715413
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122003462) is 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCCN(c3ccccc3Cl)C2)C1.
What is the InChIKey of 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is SMSBLNIISXSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-15-7-1-2-8-16(15)21-9-4-6-14(12-21)20-18(25)22-10-3-5-13(11-22)17(23)24/h1-2,7-8,13-14H,3-6,9-12H2,(H,20,25)(H,23,24).
What are the key properties of 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 365.86 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122003462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).