tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate

C20H32N4O4 — CID 66785648

IUPACtert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCCNc1cnccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H32N4O4/c1-20(2,3)28-19(26)24-11-5-7-15(14-24)18(25)23-16-8-10-21-13-17(16)22-9-6-12-27-4/h8,10,13,15,22H,5-7,9,11-12,14H2,1-4H3,(H,21,23,25)
InChIKeyPBGYMFWRHCAODX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 66785648) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate
PubChem CID66785648
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Nametert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCOCCCNc1cnccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H32N4O4/c1-20(2,3)28-19(26)24-11-5-7-15(14-24)18(25)23-16-8-10-21-13-17(16)22-9-6-12-27-4/h8,10,13,15,22H,5-7,9,11-12,14H2,1-4H3,(H,21,23,25)
InChIKeyPBGYMFWRHCAODX-UHFFFAOYSA-N
XLogP3.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[[6-chloro-2-(3-methoxypropylamino)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 87150500
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
tert-butyl 3-[(4-bromo-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
CID 126508278
tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554291
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate (CID 66785648) is tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate is COCCCNc1cnccc1NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is PBGYMFWRHCAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-20(2,3)28-19(26)24-11-5-7-15(14-24)18(25)23-16-8-10-21-13-17(16)22-9-6-12-27-4/h8,10,13,15,22H,5-7,9,11-12,14H2,1-4H3,(H,21,23,25).
What are the key properties of tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(3-methoxypropylamino)-4-pyridinyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 66785648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).