[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid

C19H28N4O3 — CID 91302941

IUPAC[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid
SMILESCN(C(=O)CN1CCCCC1)C1CCN(c2ccc(NC(=O)O)cc2)C1
InChIInChI=1S/C19H28N4O3/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)20-19(25)26/h5-8,17,20H,2-4,9-14H2,1H3,(H,25,26)
InChIKeyYFMBZLDESOVXCA-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.30
Rot. Bonds5

About [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid

[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid (PubChem CID 91302941) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid
PubChem CID91302941
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid
SMILESCN(C(=O)CN1CCCCC1)C1CCN(c2ccc(NC(=O)O)cc2)C1
InChIInChI=1S/C19H28N4O3/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)20-19(25)26/h5-8,17,20H,2-4,9-14H2,1H3,(H,25,26)
InChIKeyYFMBZLDESOVXCA-UHFFFAOYSA-N
XLogP2.30
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]benzamide
CID 67479882
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide
CID 58867616
N-[4-[3-[[2-(dimethylamino)acetyl]-methylamino]pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)benzamide;molecular hydrogen
CID 157427335
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-(benzenesulfonyl)benzamide
CID 67147935
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-3-ethyl-4-phenylbenzamide
CID 58866504

Frequently Asked Questions

What is the IUPAC name of [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid?
The IUPAC name of [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid (CID 91302941) is [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid.
What is the SMILES notation for [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid?
The canonical SMILES for [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid is CN(C(=O)CN1CCCCC1)C1CCN(c2ccc(NC(=O)O)cc2)C1.
What is the InChIKey of [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid?
The InChIKey is YFMBZLDESOVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21(18(24)14-22-10-3-2-4-11-22)17-9-12-23(13-17)16-7-5-15(6-8-16)20-19(25)26/h5-8,17,20H,2-4,9-14H2,1H3,(H,25,26).
What are the key properties of [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid?
[4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid has a molecular weight of 360.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[methyl-(2-piperidin-1-ylacetyl)amino]pyrrolidin-1-yl]phenyl]carbamic acid is sourced from PubChem (CID 91302941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).