4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride

C16H30ClN3O4 — CID 139662174

IUPAC4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCNC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H29N3O4.ClH/c20-15(21)2-1-7-18-16(22)19-10-5-14(6-11-19)23-12-13-3-8-17-9-4-13;/h13-14,17H,1-12H2,(H,18,22)(H,20,21);1H
InChIKeyHQWFZZJJQCYYTH-UHFFFAOYSA-N
MW363.89 g/mol
LogP1.46
Rot. Bonds7

About 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride

4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride (PubChem CID 139662174) has the molecular formula C16H30ClN3O4 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride
PubChem CID139662174
Molecular FormulaC16H30ClN3O4
Molecular Weight363.89 g/mol
Exact Mass363.19
IUPAC Name4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride
SMILESCl.O=C(O)CCCNC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H29N3O4.ClH/c20-15(21)2-1-7-18-16(22)19-10-5-14(6-11-19)23-12-13-3-8-17-9-4-13;/h13-14,17H,1-12H2,(H,18,22)(H,20,21);1H
InChIKeyHQWFZZJJQCYYTH-UHFFFAOYSA-N
XLogP1.46
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 51.46
H-Bond Donors ≤ 53
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 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride?
The IUPAC name of 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride (CID 139662174) is 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride.
What is the SMILES notation for 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride?
The canonical SMILES for 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride is Cl.O=C(O)CCCNC(=O)N1CCC(OCC2CCNCC2)CC1.
What is the InChIKey of 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride?
The InChIKey is HQWFZZJJQCYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4.ClH/c20-15(21)2-1-7-18-16(22)19-10-5-14(6-11-19)23-12-13-3-8-17-9-4-13;/h13-14,17H,1-12H2,(H,18,22)(H,20,21);1H.
What are the key properties of 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride?
4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride is sourced from PubChem (CID 139662174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).