ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene

C14H29N3O — CID 171627853

IUPACethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene
SMILESC/N=C(\C)C(=O)N[C@H]1CCCNC1.C=CC.CC
InChIInChI=1S/C9H17N3O.C3H6.C2H6/c1-7(10-2)9(13)12-8-4-3-5-11-6-8;1-3-2;1-2/h8,11H,3-6H2,1-2H3,(H,12,13);3H,1H2,2H3;1-2H3/b10-7+;;/t8-;;/m0../s1
InChIKeyFOHHSVPVLQVYJO-YBXLTCMBSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds2

About ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene

ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene (PubChem CID 171627853) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene
PubChem CID171627853
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Nameethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene
SMILESC/N=C(\C)C(=O)N[C@H]1CCCNC1.C=CC.CC
InChIInChI=1S/C9H17N3O.C3H6.C2H6/c1-7(10-2)9(13)12-8-4-3-5-11-6-8;1-3-2;1-2/h8,11H,3-6H2,1-2H3,(H,12,13);3H,1H2,2H3;1-2H3/b10-7+;;/t8-;;/m0../s1
InChIKeyFOHHSVPVLQVYJO-YBXLTCMBSA-N
XLogP2.16
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene?
The IUPAC name of ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene (CID 171627853) is ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene.
What is the SMILES notation for ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene?
The canonical SMILES for ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene is C/N=C(\C)C(=O)N[C@H]1CCCNC1.C=CC.CC.
What is the InChIKey of ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene?
The InChIKey is FOHHSVPVLQVYJO-YBXLTCMBSA-N. The full InChI is InChI=1S/C9H17N3O.C3H6.C2H6/c1-7(10-2)9(13)12-8-4-3-5-11-6-8;1-3-2;1-2/h8,11H,3-6H2,1-2H3,(H,12,13);3H,1H2,2H3;1-2H3/b10-7+;;/t8-;;/m0../s1.
What are the key properties of ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene?
ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene has a molecular weight of 255.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylimino-N-[(3S)-piperidin-3-yl]propanamide;prop-1-ene is sourced from PubChem (CID 171627853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).