4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide

C20H32N4O — CID 75261509

IUPAC4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCC2CCCN(C(C)C)C2)NNC1c1ccccc1
InChIInChI=1S/C20H32N4O/c1-14(2)24-11-7-8-16(13-24)12-21-20(25)19-15(3)18(22-23-19)17-9-5-4-6-10-17/h4-6,9-10,14-16,18-19,22-23H,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyAJSWBKVPPDHSSL-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.08
Rot. Bonds5

About 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide

4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75261509) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide
PubChem CID75261509
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCC2CCCN(C(C)C)C2)NNC1c1ccccc1
InChIInChI=1S/C20H32N4O/c1-14(2)24-11-7-8-16(13-24)12-21-20(25)19-15(3)18(22-23-19)17-9-5-4-6-10-17/h4-6,9-10,14-16,18-19,22-23H,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyAJSWBKVPPDHSSL-UHFFFAOYSA-N
XLogP2.08
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N'-methyl-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
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N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
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2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
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2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
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3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide (CID 75261509) is 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide is CC1C(C(=O)NCC2CCCN(C(C)C)C2)NNC1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is AJSWBKVPPDHSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-14(2)24-11-7-8-16(13-24)12-21-20(25)19-15(3)18(22-23-19)17-9-5-4-6-10-17/h4-6,9-10,14-16,18-19,22-23H,7-8,11-13H2,1-3H3,(H,21,25).
What are the key properties of 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide?
4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75261509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).