N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide

C20H25N5O2 — CID 77094686

IUPACN-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c1-2-6-18-17(13-21-14-22-18)19(26)23-16-9-11-25(12-10-16)20(27)24-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyMFMGVKQENHLWAA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide

N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77094686) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
PubChem CID77094686
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c1-2-6-18-17(13-21-14-22-18)19(26)23-16-9-11-25(12-10-16)20(27)24-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyMFMGVKQENHLWAA-UHFFFAOYSA-N
XLogP2.86
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46532852
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
4-amino-7-(1-methylpyrazol-4-yl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]thieno[3,2-c]pyridine-3-carboxamide
CID 69204361
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46537368
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255

Frequently Asked Questions

What is the IUPAC name of N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide (CID 77094686) is N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is MFMGVKQENHLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-6-18-17(13-21-14-22-18)19(26)23-16-9-11-25(12-10-16)20(27)24-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide?
N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77094686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).