3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide

C20H29N5O — CID 120911236

IUPAC3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCc1nn(-c2ccccc2)cc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C20H29N5O/c1-16-17(15-25(23-16)18-7-3-2-4-8-18)14-24-12-6-5-9-19(24)13-22-20(26)10-11-21/h2-4,7-8,15,19H,5-6,9-14,21H2,1H3,(H,22,26)
InChIKeyMQQQTUINQMXBHR-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.00
Rot. Bonds7

About 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120911236) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
PubChem CID120911236
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide
SMILESCc1nn(-c2ccccc2)cc1CN1CCCCC1CNC(=O)CCN
InChIInChI=1S/C20H29N5O/c1-16-17(15-25(23-16)18-7-3-2-4-8-18)14-24-12-6-5-9-19(24)13-22-20(26)10-11-21/h2-4,7-8,15,19H,5-6,9-14,21H2,1H3,(H,22,26)
InChIKeyMQQQTUINQMXBHR-UHFFFAOYSA-N
XLogP2.00
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide (CID 120911236) is 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide is Cc1nn(-c2ccccc2)cc1CN1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is MQQQTUINQMXBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-17(15-25(23-16)18-7-3-2-4-8-18)14-24-12-6-5-9-19(24)13-22-20(26)10-11-21/h2-4,7-8,15,19H,5-6,9-14,21H2,1H3,(H,22,26).
What are the key properties of 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 355.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120911236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).