[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C18H34N4O — CID 20813712

IUPAC[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC(C)NC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O/c1-15(2)20-18(7-9-19-10-8-18)17(23)22-13-5-16(6-14-22)21-11-3-4-12-21/h15-16,19-20H,3-14H2,1-2H3
InChIKeyVUNIXYDESARKSA-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.19
Rot. Bonds4

About [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 20813712) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID20813712
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC(C)NC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O/c1-15(2)20-18(7-9-19-10-8-18)17(23)22-13-5-16(6-14-22)21-11-3-4-12-21/h15-16,19-20H,3-14H2,1-2H3
InChIKeyVUNIXYDESARKSA-UHFFFAOYSA-N
XLogP1.19
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 20813712) is [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC(C)NC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1.
What is the InChIKey of [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is VUNIXYDESARKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-15(2)20-18(7-9-19-10-8-18)17(23)22-13-5-16(6-14-22)21-11-3-4-12-21/h15-16,19-20H,3-14H2,1-2H3.
What are the key properties of [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 322.50 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 20813712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).