N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C14H25N3O2 — CID 122566941

IUPACN-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN1CCC(OCCCNC(=O)C2C=CCN2)CC1
InChIInChI=1S/C14H25N3O2/c1-17-9-5-12(6-10-17)19-11-3-8-16-14(18)13-4-2-7-15-13/h2,4,12-13,15H,3,5-11H2,1H3,(H,16,18)
InChIKeyCITNFGVMCSETTP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.13
Rot. Bonds6

About N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122566941) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122566941
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN1CCC(OCCCNC(=O)C2C=CCN2)CC1
InChIInChI=1S/C14H25N3O2/c1-17-9-5-12(6-10-17)19-11-3-8-16-14(18)13-4-2-7-15-13/h2,4,12-13,15H,3,5-11H2,1H3,(H,16,18)
InChIKeyCITNFGVMCSETTP-UHFFFAOYSA-N
XLogP0.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 20683702
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CID 79280177
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CID 79285364
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CID 79736766
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CID 79736879
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CID 79737519
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CID 81773616
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CID 81775254
CID 81775254

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122566941) is N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is CN1CCC(OCCCNC(=O)C2C=CCN2)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is CITNFGVMCSETTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-17-9-5-12(6-10-17)19-11-3-8-16-14(18)13-4-2-7-15-13/h2,4,12-13,15H,3,5-11H2,1H3,(H,16,18).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)oxypropyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122566941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).