2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide

C17H25N3O — CID 90654145

IUPAC2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide
SMILESO=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1
InChIInChI=1S/C17H25N3O/c21-17(20-11-13-6-8-18-9-7-13)12-19-16-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-16,18-19H,6-12H2,(H,20,21)/t15-,16+/m1/s1
InChIKeyHLGCJUYCTCUYSH-CVEARBPZSA-N
MW287.41 g/mol
LogP1.25
Rot. Bonds6

About 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide

2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 90654145) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID90654145
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide
SMILESO=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1
InChIInChI=1S/C17H25N3O/c21-17(20-11-13-6-8-18-9-7-13)12-19-16-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-16,18-19H,6-12H2,(H,20,21)/t15-,16+/m1/s1
InChIKeyHLGCJUYCTCUYSH-CVEARBPZSA-N
XLogP1.25
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide (CID 90654145) is 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide is O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1.
What is the InChIKey of 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is HLGCJUYCTCUYSH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(20-11-13-6-8-18-9-7-13)12-19-16-10-15(16)14-4-2-1-3-5-14/h1-5,13,15-16,18-19H,6-12H2,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide?
2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 90654145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).