(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide

C18H29N3O2 — CID 90654502

IUPAC(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyWMVDPHRVWOFAIP-HNNXBMFYSA-N
MW319.45 g/mol
LogP1.90
Rot. Bonds9

About (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide

(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide (PubChem CID 90654502) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide
PubChem CID90654502
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyWMVDPHRVWOFAIP-HNNXBMFYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide (CID 90654502) is (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide is C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide?
The InChIKey is WMVDPHRVWOFAIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(18(19)22)20-14-16-6-8-17(9-7-16)23-13-5-12-21-10-3-2-4-11-21/h6-9,15,20H,2-5,10-14H2,1H3,(H2,19,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide?
(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 90654502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).