N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide

C18H29N5O3 — CID 56906104

IUPACN-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(CCC(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)c1
InChIInChI=1S/C18H29N5O3/c1-14-10-20-23(12-14)9-5-17(25)22-8-4-15(16(24)13-22)11-19-18(26)21-6-2-3-7-21/h10,12,15-16,24H,2-9,11,13H2,1H3,(H,19,26)/t15-,16+/m0/s1
InChIKeyLSAQPXTUUKZYSZ-JKSUJKDBSA-N
MW363.46 g/mol
LogP0.60
Rot. Bonds5

About N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide

N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 56906104) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID56906104
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(CCC(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)c1
InChIInChI=1S/C18H29N5O3/c1-14-10-20-23(12-14)9-5-17(25)22-8-4-15(16(24)13-22)11-19-18(26)21-6-2-3-7-21/h10,12,15-16,24H,2-9,11,13H2,1H3,(H,19,26)/t15-,16+/m0/s1
InChIKeyLSAQPXTUUKZYSZ-JKSUJKDBSA-N
XLogP0.60
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide (CID 56906104) is N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide is Cc1cnn(CCC(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)c1.
What is the InChIKey of N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is LSAQPXTUUKZYSZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14-10-20-23(12-14)9-5-17(25)22-8-4-15(16(24)13-22)11-19-18(26)21-6-2-3-7-21/h10,12,15-16,24H,2-9,11,13H2,1H3,(H,19,26)/t15-,16+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxy-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 56906104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).