(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C17H27N5O2 — CID 72941156

IUPAC(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCn1nccc1CCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H27N5O2/c1-21-15(5-7-20-21)4-6-19-16(23)13-10-14(12-18-11-13)17(24)22-8-2-3-9-22/h5,7,13-14,18H,2-4,6,8-12H2,1H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyKVQXVTABMWAODU-ZIAGYGMSSA-N
MW333.44 g/mol
LogP-0.07
Rot. Bonds5

About (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72941156) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72941156
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCn1nccc1CCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H27N5O2/c1-21-15(5-7-20-21)4-6-19-16(23)13-10-14(12-18-11-13)17(24)22-8-2-3-9-22/h5,7,13-14,18H,2-4,6,8-12H2,1H3,(H,19,23)/t13-,14-/m1/s1
InChIKeyKVQXVTABMWAODU-ZIAGYGMSSA-N
XLogP-0.07
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72941156) is (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is Cn1nccc1CCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is KVQXVTABMWAODU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-21-15(5-7-20-21)4-6-19-16(23)13-10-14(12-18-11-13)17(24)22-8-2-3-9-22/h5,7,13-14,18H,2-4,6,8-12H2,1H3,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72941156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).